Basic information
- CAS
1205-42-1- Standard SMILES
C=C(C)C1CC=C(C)C(OC(C)=O)C1- InChIKey
YTHRBOFHFYZBRJ-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Overview
Carvyl acetate is a clear colorless liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- Carvyl acetate
- IUPAC
- (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate
- English name
- (-)-CARVYL ACETATE
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
CARVYL ACETATE97-42-7p-Mentha-6,8-dien-2-ol, acetate2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetatep-Mentha-1(6),8-dien-2-yl acetate2-METHYL-5-(PROP-1-EN-2-YL)CYCLOHEX-2-EN-1-YL ACETATE1-p-Mentha-6(8,9)-dien-2-yl acetateEINECS 202-580-2DTXSID3024738BRN 23306662-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl acetate2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate
Show more names
FEMA 2250CARVEOL ACETATE5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetatecarveylacetate1-Carvyl acetateL-CARVEOL ACETATE(-)-CARVYL ACETATE5-Isopropenyl-2-me(?)-Carvyl acetate
1-06-00-00061 (Beilstein Handbook Reference)DTXCID9047382-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,5R)-rel-CARVEYL ACETATERefChem:5747552-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-OL, ACETATECarvyl acetate [FHFI]CARVYL ACETATE [INCI]
Database identifiers
- CAS
1205-42-1、97-42-7- PubChem CID
- 7335
- DTXSID
DTXSID3024738- ChEMBL
CHEMBL1351619- ChEBI
CHEBI:230156- EC Number
- 202-580-2
- Nikkaji
- J236.734C、J53.676H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
Fragrances
Fragrance Ingredient (Carvyl acetate) -> IFRA transparency List
Fragrance Ingredient (laevo-Carvyl acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.976 (NTP, 1992) - Less dense than water; will float
0.964-0.970
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in alcohol and most fixed oils
(in ethanol)
Flash Point207 °F (NTP, 1992)
Boiling Point
171 to 174 °F at 0.1 mmHg (NTP, 1992)
229 °C
Refractive Index1.473-1.479
Physical Description
Carvyl acetate is a clear colorless liquid. (NTP, 1992)
colourless to pale yellow liquid with a spearminty odour
Physicochemical properties
- Boiling point
- 77 · 77-79 °C0.1 mm Hg(lit.)
- alpha
- -81.6 ° · -81.6°(23℃,neat)
- Density
- 0.972 g/mL · 0.972 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.475(lit.)
- FEMA
- 2250 · 2250 | CARVYL ACETATE
- FLAVIS Number
- 9.215 · 09.215 | Carvyl acetate
- Flash point
- 208 °F · 208 °F
- solubility
- Very slightly soluble in water, soluble in Propylene glycol, alcohol and oils.
- color
- Colorless, slightly oily liquid
- Specific Gravity
- 0.969 · 0.969
- Odor
- Refreshing, green-minty, Spearmint-like odor
- biological source
- synthetic
- optical activity
- 20 · [α]20/D -50°, neat
- Odor Type
- minty
- JECFA Number
- 382 · 382
- BRN
- 2330666 · 2330666
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- FLAVOURING
- InChI
- 1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3
- InChIKey
- YTHRBOFHFYZBRJ-UHFFFAOYSA-N
- SMILES
- CC(=C)C1CC=C(C)C(C1)OC(C)=O
- LogP
- 3.52 · 3.52
- Substances Added to Food (formerly EAFUS)
- CARVYL ACETATE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 42 H65AV · IJM42H65AV
- EPA Substance Registry System
- Carvyl acetate (97-42-7)
- UNSPSC Code
- 12164502 · 12164502
- NACRES
- 21 · NA.21
- PPE
- Eyeshields, Gloves
- Safety Statements
- 24 · 24/25
- WGK Germany
- 2 · 2
- RTECS
- 8500000 · OS8500000
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1551 of 1551) of all reports.
Not Classified
Aggregated GHS information provided per 1551 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate
Regulation (EC) No 1831/2003 (amended)
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate: Environment tier I assessment
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Causes irritation on contact. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesNot Classified
Safety & protection
Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OS8500000
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
IFRA Fragrance Standards
Carvyl acetate
Carvyl acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate; 5-Isopropenyl-2-methylcyclohex-2-en-1-yl acetate; p-Mentha-6,8-dien-2-yl acetate; p-Mentha-6,8-dien-2-ol, acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-; 5-Isopropenyl-2-methylcyclohex-2-en-1-yl acetate, cis-; p-Mentha-6,8-dien-2-ol, acetate, cis-; l-1-p-Mentha-6,8(9)-dien-2-yl acetate; cis-Carvyl acetate; laevo-Carvyl acetate; 1-Carvyl acetate; cis-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, trans-; 5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate, trans-; p-Mentha-6,8-dien-2-ol, acetate, trans-; trans-Carvyl acetate; (E)-Carvyl acetate; Carvyl acetate E
IFRA_STD_243.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate: ACTIVE
Restriction Limits in the Finished Product (%)
0.042 [Products applied to the lips]
0.013 [Products applied to the axillae]
0.25 [Products applied to the face/body using fingertips]
0.24 [Products related to fine fragrances]
0.060 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.060 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Applications
OccurrenceReported found in buchu, caraway, celery, grapefruit, native and Scotch spearmint,strawberry.
Uses(-)-Carvyl Acetate is used in flavor compositions; increasingly used since it is now a commercially available item. For mint compositions, artificial mint oils, spice blends, meat flavors, etc. This ester is much more stable under airexposure than the Carvone, and this fact opens wide fields of application for the ester. The concentration in Iee-crwtm, for example, may be as high as 40 ppm.
General DescriptionClear colorless liquid.
Preparation methods
PreparationBy boiling carveol with acetic anhydride and sodium acetate.
Suppliers18 total
T&W GROUP021-61551611 13296011611 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
康迪斯化工(湖北)有限公司13343438265 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
江西汇和化工有限公司+86-19189228086 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
安徽芸赫菲香料有限公司15755158983 15755158983 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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