기본 정보
- CAS
1205-42-1- 표준 SMILES
C=C(C)C1CC=C(C)C(OC(C)=O)C1- InChIKey
YTHRBOFHFYZBRJ-UHFFFAOYSA-N- 분자식
- C12H18O2
- 평균 분자량
- 194.27 g/mol
- 단동위원소 질량
- 194.13067981
개요
Carvyl acetate is a clear colorless liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Carvyl acetate
- IUPAC
- (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate
- 현지명
- (-)-카복실아세테이트
- 영어명
- (-)-CARVYL ACETATE
- 분자식
- C12H18O2
- 분자량
- 194.27
이름 및 동의어
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
이름 더 보기
(-)-카복실아세테이트FEMA 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]
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 276
실험 및 물리화학적 성질
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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 Categories
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
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)]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…