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2,3-butane diol
butane-2,3-diol

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Name:butane-2,3-diol
CAS Number: 513-85-9Picture of molecule3D/inchi
Other:98923-25-2
ECHA EINECS - REACH Pre-Reg:208-173-6
FDA UNII:45427ZB5IJ
Nikkaji Web:J6.283I
Beilstein Number:0969165
MDL:MFCD00004523
CoE Number:10181
XlogP3:-0.90 (est)
Molecular Weight:90.12210000
Formula:C4 H10 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010).
Category:solvents/deluents for flavor and/or fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:02.133 (Old)
DG SANTE Food Flavourings:02.133 butane-2,3-diol
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Additional Assay Information:Racemate
Food Chemicals Codex Listed: No
Specific Gravity:1.00100 to 1.00700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.329 to 8.379
Refractive Index:1.43200 to 1.43800 @ 20.00 °C.
Melting Point: 25.00 °C. @ 760.00 mm Hg
Boiling Point: 182.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.243000 mm/Hg @ 25.00 °C.
Vapor Density:3.1 ( Air = 1 )
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): -0.920
Soluble in:
 alcohol
 water, 1.00E+06 mg/L @ 20 °C (exp)
 
Organoleptic Properties:
Odor Type: creamy
Odor Strength:medium ,
recommend smelling in a 0.10 % solution or less
fruity creamy buttery
Odor Description:at 0.10 % in dipropylene glycol. fruity creamy buttery
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: humectants
masking agents
skin conditioning
solvents
 
Suppliers:
BASF
Butane-2,3-diol
BOC Sciences
For experimental / research use only.
2,3-Butanediol
EMD Millipore
For experimental / research use only.
2,3-Butanediol
Penta International
2,3-BUTANEDIOL, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,3-Butanediol 98%
TCI AMERICA
For experimental / research use only.
2,3-Butanediol >97.0%(GC) (mixture of stereoisomers)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 9000 mg/kg
(Kopf et al., 1950)

intraperitoneal-mouse LD50 6075 mg/kg
Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: solvents/deluents for flavor and/or fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: 1
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 2 (FGE.11Rev2): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 3 (FGE.11Rev3): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

EPI System: View
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):513-85-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :262
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:1
butane-2,3-diol
Chemidplus:0000513859
RTECS:EK0532000 for cas# 513-85-9
 
References:
 butane-2,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:513-85-9
Pubchem (cid):262
Pubchem (sid):134978396
Flavornet:513-85-9
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C00265
HMDB (The Human Metabolome Database):HMDB03156
FooDB:FDB011934
Export Tariff Code:2905.39.1000
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
•grade: 99% •the commercial product is usually either the meso- or the d(-)-form.
 
Potential Blenders and core components note
For Odor
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin dimer
FL/FR
acetyl isobutyryl
FL/FR
apple butter fragrance
FR
butter cream fragrance
FR
butter fragrance
FR
iso
butyl lactate
FL/FR
caramellic
alpha,alpha-
dimethyl anisyl acetone
FL/FR
fatty
butter esters
FL/FR
butyl undecylenate
FL/FR
floral
benzyl lactate
FL/FR
fruity
1-
acetoxyacetone
FL/FR
gamma-
decalactone
FL/FR
waxy
delta-
tetradecalactone
FL/FR
For Flavor
No flavor group found for these
1-
acetoxyacetone
FL/FR
benzyl lactate
FL/FR
cinnamyl benzoate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
buttery
buttery
iso
butyl lactate
FL/FR
creamy
acetyl isobutyryl
FL/FR
butter esters
FL/FR
dairy
acetoin dimer
FL/FR
fruity
gamma-
decalactone
FL/FR
nutty
coffee furanone
FL/FR
waxy
butyl undecylenate
FL/FR
delta-
tetradecalactone
FL/FR
 
Potential Uses:
 humectants
 skin conditioning
 solvents
 
Occurrence (nature, food, other):note
 cheese cheddar cheese - up to 90 mg/kg
Search PMC Picture
 coconut endosperm
Search Trop Picture
 fish lean fish - 0.006 mg/kg
Search PMC Picture
 pepper bell pepper fruit
Search Trop Picture
 plum fruit
Search Trop Picture
 raspberry red raspberry fruit - up to 2.3 mg/kg
Search Trop Picture
 sherry - 1.9 mg/kg
Search PMC Picture
 ulva rigida oil greece @ 1.70%
Data GC Search PMC Picture
 vinegar - up to 850 mg/kg
Search PMC Picture
 wine - up to 2900 mg/kg
Search PMC Picture
 
Synonyms:
2,3-butandiol
DL-2,3-butandiol
 butane-2,3-diol
(R,S)-butane-2,3-diol
DL-butane-2,3-diol
2,3-butanediol
2,3-butylene glycol
2,3-butyleneglycol
2,3-dihydroxybutane
 dimethyl ethylene glycol
 dimethylene glycol
 dimethylethylene glycol
 

Articles:

PubMed:Starter culture selection for making Chinese sesame-flavored liquor based on microbial metabolic activity in mixed-culture fermentation.
PubMed:Transcriptome profiling of heat-resistant strain Bacillus licheniformis CGMCC3962 producing Maotai flavor.
PubMed:The compositions of volatiles and aroma-active compounds in dried omija fruits (Schisandra chinensis Baillon) according to the cultivation areas.
PubMed:Engineering of 2,3-butanediol dehydrogenase to reduce acetoin formation by glycerol-overproducing, low-alcohol Saccharomyces cerevisiae.
PubMed:[Rapid determination of volatile flavor compounds in soy sauce using head space solid-phase microextraction and gas chromatography-mass spectrometry].
PubMed:Diacetyl formation by lactic bacteria.
PubMed:Production of 2-butanol through meso-2,3-butanediol consumption in lactic acid bacteria.
PubMed:Acetoin Synthesis Acquisition Favors Escherichia coli Growth at Low pH.
PubMed:Efficient whole-cell biocatalyst for acetoin production with NAD+ regeneration system through homologous co-expression of 2,3-butanediol dehydrogenase and NADH oxidase in engineered Bacillus subtilis.
PubMed:Viticultural practice and winemaking effects on metabolic profile of Negroamaro.
PubMed:Starter culture selection for making Chinese sesame-flavored liquor based on microbial metabolic activity in mixed-culture fermentation.
PubMed:Discrimination of varietal wines according to their volatiles.
PubMed:2,3-butanediol production from cellobiose by engineered Saccharomyces cerevisiae.
PubMed:Enhancement of acetoin production in Candida glabrata by in silico-aided metabolic engineering.
PubMed:2,3-Butanediol fermentation promotes growth of Serratia plymuthica at low pH but not survival of extreme acid challenge.
PubMed:Volatile fingerprint of Brazilian defective coffee seeds: corroboration of potential marker compounds and identification of new low quality indicators.
PubMed:Production of 2,3-butanediol from xylose by engineered Saccharomyces cerevisiae.
PubMed:Metabolite transfer with the fermentation product 2,3-butanediol enhances virulence by Pseudomonas aeruginosa.
PubMed:2,3-butanediol production from starch by engineered Klebsiella pneumoniae G31-A.
PubMed:Production of 2,3-butanediol by engineered Saccharomyces cerevisiae.
PubMed:Isolation of acetoin-producing Bacillus strains from Japanese traditional food-natto.
PubMed:Recent insights in the removal of Klebseilla pathogenicity factors for the industrial production of 2,3-butanediol.
PubMed:Characterization of volatile components in makgeolli, a traditional Korean rice wine, with or without pasteurization, during storage.
PubMed:Analysis of irradiated cooked ham by direct introduction into the programmable temperature vaporizer of a multidimensional gas chromatography system.
PubMed:Salmonella enterica suppresses Pectobacterium carotovorum subsp. carotovorum population and soft rot progression by acidifying the microaerophilic environment.
PubMed:Acetoin production enhanced by manipulating carbon flux in a newly isolated Bacillus amyloliquefaciens.
PubMed:Volatile composition of partially fermented wines elaborated from sun dried Pedro Ximénez grapes.
PubMed:Application of one- and two-dimensional NMR spectroscopy for the characterization of Protected Designation of Origin Lambrusco wines of Modena.
PubMed:A 2,3-butanediol dehydrogenase from Paenibacillus polymyxa ZJ-9 for mainly producing R,R-2,3-butanediol: purification, characterization and cloning.
PubMed:Simultaneous production of isopropanol, butanol, ethanol and 2,3-butanediol by Clostridium acetobutylicum ATCC 824 engineered strains.
PubMed:Removal of pathogenic factors from 2,3-butanediol-producing Klebsiella species by inactivating virulence-related wabG gene.
PubMed:Characteristic aroma compounds of cooked and fermented soybean (Chungkook-Jang) inoculated with various Bacilli.
PubMed:Cloning, expression and characterization of meso-2,3-butanediol dehydrogenase from Klebsiella pneumoniae.
PubMed:Transcriptome profiling of heat-resistant strain Bacillus licheniformis CGMCC3962 producing Maotai flavor.
PubMed:Cryptococcus thermophilus sp. nov., isolated from cassava sourdough.
PubMed:Interesting starter culture strains for controlled cocoa bean fermentation revealed by simulated cocoa pulp fermentations of cocoa-specific lactic acid bacteria.
PubMed:The compositions of volatiles and aroma-active compounds in dried omija fruits (Schisandra chinensis Baillon) according to the cultivation areas.
PubMed:Metabolic influence of Botrytis cinerea infection in champagne base wine.
PubMed:Integrated regulation of acetoin fermentation by quorum sensing and pH in Serratia plymuthica RVH1.
PubMed:Relationship between changes in the total concentration of acetic acid bacteria and major volatile compounds during the acetic acid fermentation of white wine.
PubMed:Use of microfungi in the treatment of oak chips: possible effects on wine.
PubMed:Modelling the biphasic growth and product formation by Enterococcus faecium CECT 410 in realkalized fed-batch fermentations in whey.
PubMed:Optimization of medium for one-step fermentation of inulin extract from Jerusalem artichoke tubers using Paenibacillus polymyxa ZJ-9 to produce R,R-2,3-butanediol.
PubMed:Influence of pre-cure freezing on the profile of volatile compounds during the processing of Iberian hams.
PubMed:Enantiomeric analysis of chiral compounds in irradiated foods using multidimensional gas chromatography.
PubMed:Metabolomics reveals alterations in both primary and secondary metabolites by wine bacteria.
PubMed:Biotechnological production of 2,3-butanediol--current state and prospects.
PubMed:[Rapid determination of volatile flavor compounds in soy sauce using head space solid-phase microextraction and gas chromatography-mass spectrometry].
PubMed:1H nuclear magnetic resonance-based metabolomic characterization of wines by grape varieties and production areas.
PubMed:Determination of 2,3-butanediol and 2-hydroxybutanone stereoisomers in batteries of traditional balsamic vinegar.
PubMed:Citrate metabolism by Enterococcus faecium and Enterococcus durans isolated from goat's and ewe's milk: influence of glucose and lactose.
PubMed:Alcoholic fermentation and its prevention by Lactobacillus buchneri in whole crop rice silage.
PubMed:Characterization of a luxI/luxR-type quorum sensing system and N-acyl-homoserine lactone-dependent regulation of exo-enzyme and antibacterial component production in Serratia plymuthica RVH1.
PubMed:Isolation and functional analysis of luxS in Serratia plymuthica RVH1.
PubMed:Analysis of the volatile components of cheddar cheese by direct thermal desorption-GC x GC-TOF/MS.
PubMed:1H NMR, a rapid method to monitor organic acids during cupuassu (Theobroma grandiflorum Spreng) processing.
PubMed:Recycling of distillery effluents in alcoholic fermentation: role in inhibition of 10 organic molecules.
PubMed:Determination of pesticide residues by GC-MS using analyte protectants to counteract the matrix effect.
PubMed:Characterization of aerobic and anaerobic vegetative growth of the food-borne pathogen Bacillus cereus F4430/73 strain.
PubMed:Influence of sequential yeast mixtures on wine fermentation.
PubMed:Gas chromatographic quantification of major volatile compounds and polyols in wine by direct injection.
PubMed:The 'buttery' attribute of wine--diacetyl--desirability, spoilage and beyond.
PubMed:Engineering Lactococcus lactis for production of mannitol: high yields from food-grade strains deficient in lactate dehydrogenase and the mannitol transport system.
PubMed:Gluconic acid consumption in wines by Schizosaccharomyces pombe and its effect on the concentrations of major volatile compounds and polyols.
PubMed:Changes in gluconic acid, polyols and major volatile compounds in sherry wine during aging with submerged flor yeast cultures.
PubMed:The species-specific ratios of 2,3-butanediol and acetoin isomers as a tool to evaluate wine yeast performance.
PubMed:Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruit puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O.
PubMed:Staphylococcus succinus subsp. casei subsp. nov., a dominant isolate from a surface ripened cheese.
PubMed:Varietal differentiation of red wines in the Valencian region (Spain).
PubMed:Volatile components in aqueous essence and fresh fruit of Cucumis melo cv. Athena (muskmelon) by GC-MS and GC-O.
PubMed:Aromatic profile of aqueous banana essence and banana fruit by gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O).
PubMed:Diacetyl formation by lactic bacteria.
PubMed:Effects of feeding premature infants with Lactobacillus GG on gut fermentation.
PubMed:Volatile compounds associated with microbial growth on normal and high pH beef stored at chill temperatures.
PubMed:Development of a Mutant Strain of Bacillus polymyxa Showing Enhanced Production of 2,3-Butanediol.
PubMed:Gas chromatographic detection of D-(-)-2,3-butanediol and butyric acid produced by sporeformers in cream-style corn and canned beef noodle soup: collaborative study.
PubMed:Fuels and industrial chemicals through biotechnology. 2.
PubMed:Growth and end-product formation in fermenter cultures of Brochothrix thermosphacta ATCC 11509T and two psychrotrophic Lactobacillus spp. in different gaseous atmospheres.
PubMed:Growth and end product formation of two psychrotrophic Lactobacillus spp. and Brochothrix thermosphacta ATCC 11509T at different pH values and temperatures.
PubMed:End Products of Glucose Fermentation by Brochothrix thermosphacta.
PubMed:Enzymatic determination of butane-2,3-diol in wines.
 
Notes:
2,3-Butanediol is one of the constitutional isomers of butanediol. The 2R,3R stereoisomer of 2,3-butanediol is produced by a variety of microorganisms, in a process known as butanediol fermentation. It is found in cocoa butter and in the roots of Ruta graveolens. (Wikipedia)
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