thymyl acetate
phenol, 5-methyl-2-(1-methylethyl)-, acetate
Identification
| Name | thymyl acetate |
| IUPAC | (5-methyl-2-propan-2-ylphenyl) acetate |
| CAS Number | 528-79-0 |
| EINECS | 208-442-8 |
| FDA UNII | 6I29126I5V |
| Molecular Formula | C12 H16 O2 |
| Molecular Weight | 192.25792000 |
| Nikkaji Number | J6.677J |
| CoE Number | 2308 |
| XlogP3 | 3.00 (est) |
Regulatory
| DG SANTE Food Flavourings | 09.253 2-isopropyl-5-methylphenyl acetate |
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Refractive Index | 1.53100 to 1.53700 @ 20.00 °C. |
| Melting Point | 28.00 to 30.00 °C. @ 760.00 mm Hg |
| Boiling Point | 241.00 to 243.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.029000 mmHg @ 25.00 °C. (est) |
| Flash Point | 202.00 °F. TCC ( 94.44 °C. ) |
| logP (o/w) | 3.031 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| 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 thymyl acetate usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.10 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 420 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 0.50000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.20000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.50000 |
| Processed fruit (04.1) | 0.40000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 1.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.20000 |
| Bakery wares (07.0) | 2.00000 |
| Meat and meat products, including poultry and game (08.0) | 0.20000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.20000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.30000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.50000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.20000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 1.00000 |
| Ready-to-eat savouries (15.0) | 2.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.40000 |
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Potential Uses
Natural Occurrence
Synonyms
acetic acid thymyl ester
acetyl thymol
5-
methyl-2-(1-methyl ethyl) phenol acetate
5-
methyl-2-(propan-2-yl)phenyl acetate
(5-
methyl-2-propan-2-ylphenyl) acetate
phenol, 5-methyl-2-(1-methylethyl)-, acetate
2-iso
propyl-5-methyl phenyl acetate
2-iso
propyl-5-methylphenyl acetate
thymol acetate
thymol, acetate
thymyl acetate
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