기본 정보
- CAS
2102-59-2- 표준 SMILES
C=C(C)C1CC=C(C)C(O)C1- InChIKey
BAVONGHXFVOKBV-UHFFFAOYSA-N- 분자식
- C10H16O
- 평균 분자량
- 152.23 g/mol
- 단동위원소 질량
- 152.12011513
개요
Carveol is a clear colorless liquid. Insoluble in water.
이름 및 식별자
- 우선 이름
- Carveol
- IUPAC
- 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
- 현지명
- 카벨
- 영어명
- CARVEOL
- 분자식
- C10H16O
- 분자량
- 152.23
이름 및 동의어
CARVEOL99-48-9p-Mentha-6,8-dien-2-olp-Mentha-1,8-dien-6-ol2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol1-Methyl-4-isopropenyl-6-cyclohexen-2-ol2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol5-Isopropenyl-2-methyl-2-cyclohexen-1-olDTXSID30247362-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-2-Methyl-5-isopropenyl-2-cyclohexen-1-olDTXCID104736
이름 더 보기
카벨carveol,2-methyl-5-(1-methylethenyl)-2-cyclohexenolL-Carveol,97%L-CARVEOL 95+%Carveol, 10 mM in DMSO
CHEBI:230462-Methyl-5-[1-methylethenyl]-2-cyclohexen-1-olRefChem:5747472-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-olp-Mentha-1(6),8-dien-2-ol2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enolNSC 68313MFCD00062993
데이터베이스 식별자
- CAS
2102-59-2、99-48-9- PubChem CID
- 7438
- DTXSID
DTXSID3024736- ChEMBL
CHEMBL1385229、CHEMBL1908058- ChEBI
CHEBI:23046- EC Number
- 202-757-4
- Nikkaji
- J236.735A、J4.521G
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 191
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
Fragrances
Fragrance Ingredient (Carveol) -> IFRA transparency List
Fragrance Ingredient (laevo-Carveol) -> IFRA transparency List
LogP
3.12
2.85
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.496 (NTP, 1992) - Denser than water; will sink
0.947-0.953
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (NTP, 1992)
soluble in alcohol
1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
439 to 441 °F at 751 mmHg (NTP, 1992)
226.00 to 227.00 °C. @ 751.00 mm Hg
226-227 °C
Melting Point208 °F (NTP, 1992)
Refractive Index1.493-1.497
Physical Description
Carveol is a clear colorless liquid. Insoluble in water.
colourless to pale yellow liquid with a spearminty odour
물리화학적 성질
- 녹는점
- 24 · 24-25 °C
- 끓는 점
- 226 · 226-227 °C751 mm Hg(lit.)
- 밀도
- 0.958 g/mL · 0.958 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.496
- FEMA
- 2247 · 2247 | CARVEOL
- 인화점
- 209 °F · 209 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
- 산도 계수 (pKa)
- 14.6 · 14.60±0.60(Predicted)
- 물리적 상태
- Liquid
- 색상
- 투명 무색~연황색
- Specific Gravity
- 0.96 · 0.96
- 냄새
- 100 %에서 · 100.00%에서. 민트티 스피어민트 쿨링 그린 허브 캐러웨이 매콤함
- 냄새 유형
- 민트 맛
- 생물학적 소스
- synthetic
- 수용성
- 물에 부분적으로 용해됩니다. 알코올, 에탄올, DMSO에 용해됩니다.
- JECFA Number
- 381 · 381
- BRN
- 6269416 · 6269416
- Dielectric constant
- 11.2 · 11.2(18℃)
- 화장품 원료 기능
- 향수
- InChI
- 1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10/m1/s1
- InChIKey
- BAVONGHXFVOKBV-YHMJZVADSA-N
- SMILES
- CC(=C)[C@@H]1CC=C(C)C(O)C1
- LogP
- 3.12 · 3.120
- EPA
- Carveol (99-48-9)
화학적 성질
Carveol has spearmint-like odor.
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 71.7% (114 of 159) of all reports.
Warning
H315 (28.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile
Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (28.3%)
안전 및 보호
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (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.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OS8400000
- HS 번호
- 29061900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 기존화학 물질
- KE-23080
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Metabolism/MetabolitesCarveol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyoxane-2-carboxylic acid.
Cellular LocationsExtracellular
용도 및 제조
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)-: ACTIVE
응용 분야
출처In small amounts, sometimes esterified, it has been reported present in caraway seeds, spearmint, orange juice, mango and eucalyptus oil.
용도Carveol, is a constituent of spearmint essential oil in the form of cis-()-carveol. It can be used as a fragrance ingredient, and as a flavor additive in the food industry. It is also found that its alpha-trans-dihydroxy derivative, possesses potent antiparkinsonian activity in animal models.
일반 설명Clear colorless liquid. Insoluble in water.
상·하류 제품 정보
하류 제품
공급사100 곳
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추가 설명
정의ChEBI: A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5.
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