3-methyl-3-pentanol
3-pentanol, 3-methyl-
Identification
| Name | 3-methyl-3-pentanol |
| IUPAC | 3-methylpentan-3-ol |
| CAS Number | 77-74-7 |
| EINECS | 201-053-4 |
| FDA UNII | SR4551FEKB |
| Molecular Formula | C6 H14 O |
| Molecular Weight | 102.17678000 |
| MDL Number | MFCD00004483 |
| Nikkaji Number | J69.490H |
| Beilstein | 1731456 |
| CoE Number | 10277 |
| XlogP3 | 1.40 (est) |
Regulatory
| DG SANTE Food Flavourings | 02.184 3-methylpentan-3-ol |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.82400 to 0.83000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.857 to 6.906 |
| Refractive Index | 1.41500 to 1.42100 @ 20.00 °C. |
| Melting Point | -38.00 °C. @ 760.00 mm Hg |
| Boiling Point | 121.00 to 123.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 6.653000 mmHg @ 25.00 °C. (est) |
| Flash Point | 115.00 °F. TCC ( 46.11 °C. ) |
| logP (o/w) | 1.603 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 710 mg/kg |
| Dermal Toxicity | subcutaneous-mouse LD50 1100 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 3-methyl-3-pentanol 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 | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Sigma-Aldrich
Complete Supply Chain
The perfect blend of products and services that bring your creativity to life.
Potential Uses
Natural Occurrence
Synonyms
acetone dimethyl ketal
acetone-dimethyl acetal
acetone, dimethyl acetal
diethyl methyl carbinol
2-
ethinylbutanol
ethinylmethylethylcarbinol
mepentamato
methyl diethyl carbinol
3-
methyl pentan-3-ol
methyldiethylcarbinol
3-
methylpentan-3-ol
3-
methylpentin-3-ol
metilpentinolo
pentan-3-ol, 3-methyl-
3-
pentanol, 3-methyl-
pentydrom
m-
pentynol
placidal
Try the PubMed Search.