lavandulyl acetate
4-hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate
Identification
| Name | lavandulyl acetate |
| IUPAC | (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate |
| CAS Number | 25905-14-0 |
| EINECS | 247-327-7 |
| FDA UNII | OU6ZF37MOM |
| Molecular Formula | C12 H20 O2 |
| Molecular Weight | 196.28980000 |
| MDL Number | MFCD00216731 |
| Nikkaji Number | J36.845H |
| Beilstein | 1725269 |
Regulatory
| DG SANTE Food Flavourings | 09.612 lavandulyl acetate |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.90900 to 0.91500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.564 to 7.614 |
| Refractive Index | 1.45300 to 1.45900 @ 20.00 °C. |
| Boiling Point | 228.00 to 229.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.072000 mmHg @ 25.00 °C. (est) |
| Flash Point | 159.00 °F. TCC ( 70.56 °C. ) |
| logP (o/w) | 3.518 (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 lavandulyl acetate usage levels up to | 10.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3900 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| 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
3-
acetoxymethyl-2,6-dimethyl-1,5-heptadiene
4-
hexen-1-ol, 2-isopropenyl-5-methyl-, acetate
4-
hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate
lavandulol acetate
(±)-
lavandulol acetate
(±)-
lavandulyl acetate
5-
methyl-2-(1-methyl ethenyl)-4-hexen-1-ol acetate
5-
methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate
5-
methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl acetate
(5-
methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
2-iso
propenyl-5-methyl hex-4-enyl acetate
2-iso
propenyl-5-methyl-4-hexen-1-yl acetate
2-iso
propenyl-5-methyl-4-hexenyl acetate
2-iso
propenyl-5-methylhex-4-enyl acetate
PubMed:
The biosynthetic origin of irregular monoterpenes in Lavandula: isolation and biochemical characterization of a novel cis-prenyl diphosphate synthase gene, lavandulyl diphosphate synthase.
PubMed:
Identification of the sex pheromone of the mealybug Dysmicoccus grassii Leonardi.
PubMed:
Antimicrobial Activity and Chemical Composition of Essential Oil From the Seeds of Artemisia aucheri Boiss.
PubMed:
Differential induction, purification and characterization of cold active lipase from Yarrowia lipolytica NCIM 3639.
PubMed:
[Studies regarding chemical composition of lavender volatile oils].
PubMed:
Role of novel terpenes in transcutaneous permeation of valsartan: effectiveness and mechanism of action.
PubMed:
A DFT analysis of thermal decomposition reactions important to natural products.
PubMed:
Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill.
PubMed:
Identification of a male-produced aggregation pheromone in the western flower thrips Frankliniella occidentalis.
PubMed:
Enzymatic esterification of lavandulol--a partial kinetic resolution of (S)-lavandulol and preparation of optically enriched (R)-lavandulyl acetate.