alpha,alpha-dimethyl benzyl alcohol
2-phenylpropan-2-ol
Identification
| Name | alpha,alpha-dimethyl benzyl alcohol |
| IUPAC | 2-phenylpropan-2-ol |
| CAS Number | 617-94-7 |
| EINECS | 210-539-5 |
| FDA UNII | JE030BGE05 |
| Molecular Formula | C9 H12 O |
| Molecular Weight | 136.19384000 |
| MDL Number | MFCD00004456 |
| Nikkaji Number | J28.650H |
| Beilstein | 1905012 |
| CoE Number | 11704 |
| XlogP3 | 1.80 (est) |
Regulatory
| DG SANTE Food Flavourings | 02.203 2-phenylpropan-2-ol |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97100 to 0.97700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.080 to 8.130 |
| Refractive Index | 1.52900 to 1.53500 @ 20.00 °C. |
| Melting Point | 28.00 to 32.00 °C. @ 760.00 mm Hg |
| Boiling Point | 216.00 to 218.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.183000 mmHg @ 25.00 °C. (est) |
| Flash Point | 190.00 °F. TCC ( 87.78 °C. ) |
| logP (o/w) | 1.820 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1037 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 4300 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for alpha,alpha-dimethyl benzyl alcohol usage levels up to | 0.5000 % in the fragrance concentrate. |
| 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 |
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Potential Uses
Natural Occurrence
Synonyms
benzenemethanol, a,a-dimethyl-
benzyl alcohol, a,a-dimethyl-
alpha-
cumyl alcohol
alpha,alpha-
dimethyl benzene methanol
alpha,alpha-
dimethyl benzyl alcohol
dimethyl phenyl carbinol
dimethyl phenyl methanol
dimethylphenylcarbinol
dimethylphenylmethanol
1-
hydroxycumene
a-
hydroxycumene
2-
phenyl isopropanol
2-
phenyl propan-2-ol
2-
phenyl-2-propanol
phenyldimethylcarbinol
2-
phenylisopropanol
2-
phenylpropan-2-ol
propan-2-ol, 2-phenyl-
2-
propanol, 2-phenyl-
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