lilac pentanol
1-phenyl-3-methyl-3-pentanol
Identification
| Name | lilac pentanol |
| IUPAC | 3-methyl-1-phenylpentan-3-ol |
| CAS Number | 10415-87-9 |
| EINECS | 233-889-0 |
| FDA UNII | 53PK0CX9TS |
| Molecular Formula | C12 H18 O |
| Molecular Weight | 178.27466000 |
| MDL Number | MFCD0002182 |
| Nikkaji Number | J28.641I |
| Beilstein | 2354074 |
| CoE Number | 86 |
| XlogP3 | 3.00 (est) |
Regulatory
| JECFA Food Flavoring | 1649 1-phenyl-3-methyl-3-pentanol |
| DG SANTE Food Flavourings | 02.037 3-methyl-1-phenylpentan-3-ol |
| FEMA Number | 2883 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 10415-87-9 ; 1-PHENYL-3-METHYL-3-PENTANOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.95700 to 0.96500 @ 20.00 °C. |
| Pounds per Gallon - est. | 7.972 to 8.039 |
| Boiling Point | 112.00 to 112.50 °C. @ 0.80 mm Hg, 254.00 to 255.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 3.052 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 304 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | International Flavors & Fragrances Inc. |
| Taste Description | fruity tropical berry gooseberry green ylang |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 10 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 2950 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 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 lilac pentanol usage levels up to | 10.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3900 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| 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 | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| 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
benzenepropanol, a-ethyl-a-methyl-
a-
ethyl-a-methylbenzenepropanol
lilac pentanol
3-
methyl-1-phenyl pentan-3-ol
3-
methyl-1-phenyl-3-pentanol
3-
methyl-1-phenyl-pentan-3-ol
3-
methyl-1-phenylpentan-3-ol
p.e.m.e.c.
3-
pentanol, 3-methyl-1-phenyl-
phenethyl methyl ethyl carbinol
phenethylmethylethylcarbinol
phenyl ethyl methyl ethyl carbinol
1-
phenyl-3-methyl-3-pentanol
phenylethyl methyl ethyl carbinol
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