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3-methyl-2-pentanol
2-pentanol, 3-methyl- (8CI)(9CI)

Supplier Sponsors

Name:3-methylpentan-2-ol
CAS Number: 565-60-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-281-6
FDA UNII: Search
Nikkaji Web:J94.877B
MDL:MFCD00004528
CoE Number:10276
XlogP3-AA:1.70 (est)
Molecular Weight:102.17678000
Formula:C6 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(2R,3R)-3-methylpentan-2-ol
CAS Number: 1502-93-8Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.661.435A
XlogP3-AA:1.70 (est)
Molecular Weight:102.17678000
Formula:C6 H14 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(2R,3S)-3-methylpentan-2-ol
CAS Number: 565-60-6 (RS)Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.308.755E
XlogP3-AA:1.70 (est)
Molecular Weight:102.17678000
Formula:C6 H14 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(2S,3R)-3-methylpentan-2-ol
CAS Number: 565-60-6 (SR)Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.661.433E
XlogP3-AA:1.70 (est)
Molecular Weight:102.17678000
Formula:C6 H14 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(2S,3S)-3-methylpentan-2-ol
CAS Number: 565-60-6 (SS)Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.661.436J
XlogP3-AA:1.70 (est)
Molecular Weight:102.17678000
Formula:C6 H14 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a).
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
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Flavourings:02.182 3-methylpentan-2-ol
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.82700 to 0.83300 @ 25.00 °C.
Pounds per Gallon - (est).: 6.881 to 6.931
Refractive Index:1.41500 to 1.42100 @ 20.00 °C.
Boiling Point: 133.00 to 135.00 °C. @ 760.00 mm Hg
Vapor Pressure:3.679000 mmHg @ 25.00 °C. (est)
Vapor Density:3.52 ( Air = 1 )
Flash Point: 105.00 °F. TCC ( 40.56 °C. )
logP (o/w): 1.546 (est)
Soluble in:
 alcohol
 water, 1.38e+004 mg/L @ 25 °C (est)
 water, 1.94E+04 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methyl-2-pentanol
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-2-pentanol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methyl-2-pentanol 99%
TCI AMERICA
For experimental / research use only.
3-Methyl-2-pentanol (mixture of diastereoisomers) >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 3-methyl-2-pentanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (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
Chewing gum (05.3): --
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11261
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:3
3-methylpentan-2-ol
Chemidplus:0000565606
(2R,3R)-3-methylpentan-2-ol
(2R,3S)-3-methylpentan-2-ol
(2S,3R)-3-methylpentan-2-ol
(2S,3S)-3-methylpentan-2-ol
 
References:
 3-methylpentan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11261
Pubchem (sid):134978439
Pherobase:View
 (2R,3R)-3-methylpentan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6993004
Pubchem (sid):43595431
 (2R,3S)-3-methylpentan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6993005
Pubchem (sid):43595432
 (2S,3R)-3-methylpentan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6993006
Pubchem (sid):43595433
 (2S,3S)-3-methylpentan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6993007
Pubchem (sid):43595434
 
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
CHEBI:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB004415
Export Tariff Code:2905.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 date
Search PMC Picture
 eletteria cardamomum maton var. miniscula burkill
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 pineapple fruit - up to 0.009 mg/kg.
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 shrimp
Search PMC Picture
 tea leaf
Search Trop Picture
 
Synonyms:
sec-butyl methyl carbinol
3-methyl pentan-2-ol
3-methylpentan-2-ol
threo-3-methylpentan-2-ol
 pentan-2-ol, 3-methyl-
2-pentanol, 3-methyl-
2-pentanol, 3-methyl- (8CI)(9CI)
 
 
Notes:
None found
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