EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

sec-butyl acetate
2-butyl acetate

Supplier Sponsors

Name:butan-2-yl acetate
CAS Number: 105-46-4Picture of molecule3D/inchi
Other:116698-48-7
ECHA EINECS - REACH Pre-Reg:203-300-1
FDA UNII:UVH2QII6CG
Nikkaji Web:J4.030D
Beilstein Number:1720689
MDL:MFCD00009328
CoE Number:10527
XlogP3:1.70 (est)
Molecular Weight:116.16004000
Formula:C6 H12 O2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(-)-sec-butyl acetate
 (+)-sec-butyl acetate
EFSA/JECFA Comments:
Racemate.
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
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:09.323 (Old)
DG SANTE Food Flavourings:09.323 sec-butyl acetate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.86700 to 0.87300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.214 to 7.264
Refractive Index:1.38500 to 1.39100 @ 20.00 °C.
Melting Point: -98.90 °C. @ 760.00 mm Hg
Boiling Point: 111.00 °C. @ 760.00 mm Hg
Vapor Pressure:17.000000 mm/Hg @ 20.00 °C.
Vapor Density:4.0 ( Air = 1 )
Flash Point: 62.00 °F. TCC ( 16.67 °C. )
logP (o/w): 1.720
Soluble in:
 alcohol
 water, 6200 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: solvent
Odor Strength:medium
solvent fruity banana
Odor Description:at 100.00 %. solvent fruity banana
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Inoue Perfumery
SEC-BUTYL ACETATE
Penta International
sec-BUTYL ACETATE
Santa Cruz Biotechnology
For experimental / research use only.
sec-Butyl Acetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
sec-Butyl Acetate 99%
Synerzine
sec-Butyl Acetate
TCI AMERICA
For experimental / research use only.
sec-Butyl Acetate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 66 - Repeated exposure may cause skin dryness or cracking.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 29 - Do not empty into drains.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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-rat LD50 3200 mg/kg
National Technical Information Service. Vol. OTS0556683

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LCLo 24000 ppm/4H
National Technical Information Service. Vol. OTS0556683

 
Safety in Use Information:
Category: flavoring agents
Recommendation for sec-butyl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
EPA Substance Registry Services (TSCA):105-46-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7758
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1123
WGK Germany:3
butan-2-yl acetate
Chemidplus:0000105464
EPA/NOAA CAMEO:hazardous materials
RTECS:105-46-4
 
References:
Leffingwell:Chirality or Article
 butan-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:105-46-4
Pubchem (cid):7758
Pubchem (sid):134971161
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.9050
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
•polyvinyl acetate is avail commercially in us in emulsion & resin forms. most polyvinyl acetate is not a homopolymer but rather a copolymer; predominant comonomers are n-butyl acrylate, 2-ethylhexyl acrylate & ethylene; minor comonomers incl dibutyl maleate & dibutyl fumarate. comonomers are used to impart a plasticizing or hardening effect on polyvinyl acetate. polyvinyl acetate copolymers are generally regarded as "polyvinyl acetate" as long as the copolymer contains at least 60% vinyl acetate units (avg vinyl acetate content of these copolymers is believed to be about 85%). polyvinyl acetate emulsions usually contain about 55% resin in an aq soln; however, emulsions are avail with a solids content of 48%. emulsions are compounded with thickeners, flow control & suspension agents, plasticizers, biocides, pigments & fillers to achieve desired properties. •(a) spray-dryed emulsion solids with avg particle sizes of 2-20 um (b) 25-50 wt% pvac solidemulsionsin methyl & ethyl alcoholbase(c) 48-55 wt% pvac solid emulsions are the typical formula in commercial products
 
Potential Blenders and core components note
For Odor
caramellic
maltyl isobutyrate
FL/FR
ethereal
butyl acetate
FL/FR
cyclohexyl formate
FL/FR
methyl acetate
FL/FR
iso
propyl acetate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
floral
benzyl acetoacetate
FL/FR
citronellyl acetate
FL/FR
phenethyl acetate
FL/FR
fruity
allyl isovalerate
FL/FR
iso
amyl acetate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
butyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl heptanoate
FL/FR
furfuryl acetate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
pentyl butyrate
FL/FR
prenyl acetate
FL/FR
propyl acetate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl octanoate
FL/FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
3-
hexenyl acetate
FL/FR
1-
penten-3-ol
FL/FR
herbal
2-
pentyl acetate
FL/FR
viridiflorol
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
waxy
iso
amyl decanoate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
diethyl maleate
FL
ethyl 3-octenoate
FL
3-
hexenyl acetate
FL/FR
viridiflorol
FL/FR
benzyl acetoacetate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
dairy
2-
pentyl acetate
FL/FR
estery
furfuryl acetate
FL/FR
propyl acetate
FL/FR
ethereal
butyl acetate
FL/FR
methyl acetate
FL/FR
iso
propyl acetate
FL/FR
floral
citronellyl acetate
FL/FR
tropical ionone
FL/FR
fruity
allyl isovalerate
FL/FR
iso
amyl acetate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
butyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl heptanoate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
pentyl butyrate
FL/FR
prenyl acetate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl octanoate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
cassis pentanone
FL/FR
cyclohexyl formate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
2-
ethyl-5-methyl thiophene
FL
heptanal dimethyl acetal
FL/FR
1-
penten-3-ol
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
iso
amyl decanoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 banana fruit
Search Trop Picture
 beans
Search PMC Picture
 beer
Search PMC Picture
 cheese cheddar cheese
Search PMC Picture
 cheese gruyere cheese
Search PMC Picture
 cheese parmesan cheese
Search PMC Picture
 coffee
Search PMC Picture
 potato baked potato
Search Trop Picture
 rum
Search PMC Picture
 sauromatum guttatum
Search Trop Picture
 vinegar - up to 67 mg/kg
Search Picture
 walnut english walnut
Search Trop Picture
 
Synonyms:
 acetic acid 1-methyl propyl ester
 acetic acid 1-methylpropyl ester
 acetic acid 2-butoxy ester
 acetic acid methylpropyl ester
 acetic acid sec-butyl ester
 acetic acid secondary butyl ester
 acetic acid, 1-methylpropyl ester
 acetic acid, 2-butoxy ester
 acetic acid, sec-butyl ester
2-acetoxybutane
 butan-2-yl acetate
2-butanol acetate
2-butyl acetate
DL-sec-butyl acetate
sec-butyl alcohol acetate
sec-butyl ester of acetic acid
sec-butyl ethanoate
sec-butylacetate
1-methylpropyl acetate
 methylpropyl ethanoate
1-methylpropyl ethanoate
 

Articles:

PubMed:[Determination of three ester compounds in gasoline by two-dimensional gas chromatography].
PubMed:Volatile fingerprint of Brazilian defective coffee seeds: corroboration of potential marker compounds and identification of new low quality indicators.
PubMed:Feasibility of a breath test for monitoring adherence to vaginal administration of antiretroviral microbicide gels.
PubMed:A novel breath test to directly measure use of vaginal gel and condoms.
PubMed:Ion mobility spectrometry for detection of skin volatiles.
PubMed:Design, synthesis and antimicrobial evaluation of novel 1-benzyl 2-butyl-4-chloroimidazole embodied 4-azafluorenones via molecular hybridization approach.
PubMed:Fragrance material review on 2-methyl-4-phenyl-2-butyl acetate.
PubMed:Determination of a novel TAZ modulator, 2-butyl-5-methyl-6-(pyridine-3-yl)-3-[2'-(1H-tetrazole-5-yl)-biphenyl-4-ylmethyl]-3H imidazo[4,5-b]pyridine] (TM-25659) in rat plasma by liquid chromatography-tandem mass spectrometry.
PubMed:Losartan metabolite EXP3179 blocks NADPH oxidase-mediated superoxide production by inhibiting protein kinase C: potential clinical implications in hypertension.
PubMed:Anaerobic degradation of nonylphenol in subtropical mangrove sediments.
PubMed:Identification of pig liver esterase variants by tandem mass spectroscopy analysis and their characterization.
PubMed:New constituents related to 3-methyl-2,4-nonanedione identified in green tea.
PubMed:Hepatocellular toxicity and pharmacological effect of amiodarone and amiodarone derivatives.
PubMed:Functional expression of the gamma-isoenzyme of pig liver carboxyl esterase in Escherichia coli.
PubMed:Analysis of the loading and hydroxylation steps in lankamycin biosynthesis in Streptomyces rochei.
PubMed:Effect of boiling and roasting on the fermentation of soybeans into dawadawa (soy-dawadawa).
PubMed:Anaerobic degradability of alcohol ethoxylates and related non-ionic surfactants.
PubMed:Lipase mediated chiral resolution of 4-arylthio-2-butanol as an intermediate for beta-lactam antibiotics.
PubMed:Role of solid-phase microextraction in the identification of highly volatile pheromones of two Rhinoceros beetles Scapanes australis and Strategus aloeus (Coleoptera, Scarabaeidae, Dynastinae).
PubMed:Application of tryptamine as a derivatizing agent for the determination of airborne isocyanates. Part 7. Selection of impinger solvents and the evaluation against dimethyl sulfoxide used in US NIOSH Regulatory Method 5522.
PubMed:Oxidative cleavage of esters and amides to carbonyl products by cytochrome P450.
PubMed:Evaluation of amiodarone free radical toxicity in rat hepatocytes.
PubMed:Nonpeptide angiotensin II receptor antagonists. III. Structure-function studies.
PubMed:[Stability of esters in the blood in vitro].
PubMed:Measurement of transmembrane potentials in Rhodospirillum rubrum chromatophores with an oxacarbocyanine dye.
PubMed:Micelle formation and its relationship to solubility behavior of 2-butyl-3-benzofuranyl-4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride.
 
Notes:
None found
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