| Name: | 3-methylpentan-2-ol |
| CAS Number: | 565-60-6 |  3D/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: | 1502-93-8 |  3D/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) |  3D/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) |  3D/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) |  3D/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:
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:
Suppliers:
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/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 |
| Processed fruit (04.1): | 7.00000 | 35.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 10.00000 | 50.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 |
| Bakery wares (07.0): | 10.00000 | 50.00000 |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 |
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:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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) |
Articles:
|
