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

2,3,4-trimethyl-3-pentanol
3-pentanol, 2,3,4-trimethyl-

Supplier Sponsors

Name:2,3,4-trimethylpentan-3-ol
CAS Number: 3054-92-0Picture of molecule3D/inchi
FDA UNII:E7OYT9FJ8F
MDL:MFCD00048319
XlogP3-AA:2.30 (est)
Molecular Weight:130.23066000
Formula:C8 H18 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Specifications (EFFA, 2010).
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
JECFA Food Flavoring:1643 2,3,4-trimethyl-3-pentanol
DG SANTE Food Flavourings:02.245 2,3,4-trimethyl-3-pentanol
FEMA Number:3903 2,3,4-trimethyl-3-pentanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):3054-92-0 ; 2,3,4-TRIMETHYL-3-PENTANOL
 
Physical Properties:
Appearance:colorless to brown yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84900 to 0.85200 @ 20.00 °C.
Pounds per Gallon - (est).: 7.073 to 7.098
Refractive Index:1.43500 to 1.43700 @ 20.00 °C.
Boiling Point: 78.00 °C. @ 46.00 mm Hg
Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.459000 mmHg @ 25.00 °C. (est)
Flash Point: 122.00 °F. TCC ( 50.00 °C. )
logP (o/w): 2.310 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 water, 1983 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Description:fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,3,4-Trimethyl-3-pentanol
Parchem
2,3,4-trimethyl-3-pentanol
Penta International
2,3,4-TRIMETHYL-3-PENTANOL
Santa Cruz Biotechnology
For experimental / research use only.
2,3,4-Trimethyl-3-pentanol
TCI AMERICA
For experimental / research use only.
2,3,4-Trimethyl-3-pentanol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 2,3,4-trimethyl-3-pentanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 1.000003.00000
beverages(nonalcoholic): 0.200000.50000
beverages(alcoholic): 0.200000.50000
breakfast cereal: --
cheese: --
chewing gum: 1.000005.00000
condiments / relishes: --
confectionery froastings: 0.500001.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: 0.500001.50000
other grains: --
poultry: --
processed fruits: 0.500001.50000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.500001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.500001.50000
Confectionery (05.0): 0.500001.50000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 1.000003.00000
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200000.50000
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.500001.50000
 
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):

Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 90, Revision 1 (FGE.90Rev1): consideration of six substances evaluated by JECFA (68th meeting) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 and FGE.75Rev1
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18280
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
2,3,4-trimethylpentan-3-ol
Chemidplus:0003054920
 
References:
 2,3,4-trimethylpentan-3-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18280
Pubchem (sid):134982783
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB36166
FooDB:FDB015020
Export Tariff Code:2905.16.0050
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,3,4-diisopropyl methyl carbinol
 diisopropylmethylcarbinol
3-pentanol, 2,3,4-trimethyl-
2,3,4-trimethylpentan-3-ol
 

Articles:

 None found yet.
 
Notes:
Flavouring agent for foods. Present in muscadine grapes, wines and chinese jujube fruit (Zizyphus jujuba)
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