기본 정보
- CAS
2244-16-8- 표준 SMILES
C=C(C)[C@H]1CC=C(C)C(=O)C1- InChIKey
ULDHMXUKGWMISQ-VIFPVBQESA-N- 분자식
- C10H14O
- 평균 분자량
- 150.22 g/mol
- 단동위원소 질량
- 150.10446507
개요
D-carvone appears as pale yellow or colorless liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Carvone, (+)-
- IUPAC
- (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
- 영어명
- 2-Methyl-4-(1 -methylethenyl)-2-cyclohexene-1 -one
- 분자식
- C10H14O
- 분자량
- 150.21756
이름 및 동의어
d-Carvone2244-16-8(S)-(+)-Carvone(+)-Carvone(S)-CarvoneCarvone, (+)-D(+)-CarvoneD-(+)-CarvoneS-(+)-carvone(S)-(+)-p-Mentha-6,8-dien-2-oned-Carvone (natural)(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
이름 더 보기
(+)-(S)-Carvonep-Mentha-6,8-dien-2-one, (S)-(+)-CCRIS 2385DTXSID8020256UNII-4RWC1CMS3X2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-4RWC1CMS3X(S)-d-p-Mentha-6,8,(9)-dien-2-one
데이터베이스 식별자
- CAS
2244-16-8- PubChem CID
- 16724
- DTXSID
DTXSID8020256- ChEMBL
CHEMBL501949- ChEBI
CHEBI:15399- UNII
- 4RWC1CMS3X
- EC Number
- 218-827-2
- Nikkaji
- J9.490K
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 223
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Flavor; Fragrance; Other (Specify)
FragrancesFragrance Ingredient (d-Carvone) -> IFRA transparency List
LogP
1.267
2.71
Density
0.965 at 68 °F (NTP, 1992) - Less dense than water; will float
0.956-0.961
Flavoring AgentsEU Flavoring substances
Solubility
less than 1 mg/mL at 77 °F (NTP, 1992)
1300 mg/L at 18 °C
soluble in propylene glycol and most fixed oils; insoluble in glycerol; miscible with alcohol
1 ml in 5 ml 60% alcohol (in ethanol)
Flash Point192 °F (NTP, 1992)
Boiling Point
446 °F at 760 mmHg (NTP, 1992)
231.00 °C. @ 760.00 mm Hg
230 °C
Melting Point< 15 °C
Vapor Pressure15.5 mmHg at 77 °F ; 31.3 mmHg at 108 °F (NTP, 1992)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1654) of reports.
Warning
H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (EC: 218-827-2)
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation.
Reactive GroupKetones
Reactivity ProfileD-CARVONE may be sensitive to prolonged exposure to light and air. Incompatible with strong oxidizing agents and strong reducing agents (NTP, 1992)
Air and Water ReactionsMay be sensitive to prolonged exposure to light and air. Insoluble in water.
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
IFRA Fragrance Standards
Carvone
99-49-0 (Carvone):; p-Mentha-6,8-dien-2-one; 1-Methyl-4-isopropenyl-6-cyclohexen-2-one; 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-; 5-Isopropenyl-2-methylcyclohex-2-en-1-one; 6,8(9)-p-Menthadien-2-one.; 2244-16-8 (d-Carvone):; (S)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-one; d-p-Mentha-6,8(9)-dien-2-one; d-1-Methyl-4-isopropenyl-6-cyclohexen-2-one; 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-.; 6485-40-1 (l-Carvone):; l-p-Mentha-1(6),8-dien-2-one; l-p-Mentha-6,8(9)-dien-2-one; l-1-Methyl-4-isopropenyl-6-cyclohexen-2-one; 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-; 5-Isopropenyl-2-methylcyclohex-2-en-1-one.
IFRA_STD_016.pdf
49
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
Household Products
Cosmetics product ingredient: 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one; (5R)-2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(5S)-2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (Carvone)
Information on 2 consumer products that contain D-Carvone in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.2 [Products applied to the lips]
0.06 [Products applied to the axillae]
0.02 [Products applied to the face/body using fingertips]
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