기본 정보
- CAS
543-39-5- 표준 SMILES
C=CC(=C)CCCC(C)(C)O- InChIKey
DUNCVNHORHNONW-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.13576519
개요
Myrcenol is a monoterpenoid that is oct-7-en-2-ol substituted by a methyl group at position 2 and a methylidene group at position 6 respectively. It has a role as a fragrance and a plant metabolite. It is a monoterpenoid and a tertiary alcohol.
이름 및 식별자
- 우선 이름
- Myrcenol
- IUPAC
- 2-methyl-6-methylideneoct-7-en-2-ol
- 현지명
- 미르센올
- 영어명
- 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
Myrcenol543-39-52-methyl-6-methylideneoct-7-en-2-ol2-Methyl-6-methylene-7-octen-2-ol3-Methylene-7-methyl-1-octen-7-ol7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-7-hydroxy-7-methyl-3-methylene-1-octene7-methyl-3-methylene-1-octen-7-olX4XS5MYJ20MYRCENOL 50DTXSID5027192CHEBI:87529
이름 더 보기
미르센올MYCENOL52H MYRCENOLMYRCENOL 50 IN D.E.P.2-Methyl-6-methylenoct-7-en-2-ol2-methyl-6-methylene-7-octen-2-o
RefChem:160360DTXCID407192208-843-82-Methyl-6-methyleneoct-7-en-2-ol7-octen-2-ol,2-methyl-6-methylene7-octen-2-ol, 2-methyl-6-methyleneEINECS 208-843-8UNII-X4XS5MYJ20
데이터베이스 식별자
- CAS
543-39-5- PubChem CID
- 10975
- DTXSID
DTXSID5027192- ChEBI
CHEBI:87529- UNII
- X4XS5MYJ20
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 145
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Myrcenol) -> IFRA transparency List
Boiling Point99.00 to 100.00 °C. @ 10.00 mm Hg
물리화학적 성질
- 끓는 점
- 217.64 °C · 217.64°C (rough estimate)
- 밀도
- 0.8389 · 0.8389 (rough estimate)
- 굴절률
- 1.4666 · 1.4666 (estimate)
- 용해도
- Practically insoluble in water, soluble in alcohol and oils.
- 산도 계수 (pKa)
- 15.3 · 15.30±0.29(Predicted)
- 물리적 상태
- viscous liquid
- Specific Gravity
- 0.89 · 0.89
- 색상
- Colorless
- 냄새
- 100 %에서 · 100.00%에서. 신선한 꽃 라벤더 감귤류
- 냄새 유형
- 꽃향기
- 안정성
- Tends to polymerize on standing, increases in viscosity, decreases in odor power
- 화장품 원료 기능
- 향기
- LogP
- 2.613 · 2.613 (est)
- EPA
- 7 · 7-Octen-2-ol, 2-methyl-6-methylene- (543-39-5)
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 85.2% (225 of 264) of all reports.
Warning
H315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 264 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 7-Octen-2-ol, 2-methyl-6-methylene-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-methyl-6-methyleneoct-7-en-2-ol (EC: 208-843-8)
7-Octen-2-ol, 2-methyl-6-methylene-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 7-Octen-2-ol, 2-methyl-6-methylene-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (14.8%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-24391
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information7-Octen-2-ol, 2-methyl-6-methylene-: ACTIVE
응용 분야
용도Myrcenol is used in perfume compositions for “lift” and freshness in floral or citrusy and “light” compositions, including soap perfumes.
제조 방법
By chlorination of Myrcene, followed by hydrolysis.
상·하류 제품 정보
하류 제품
공급사11 곳
山东洛克化工有限公司17653113209 13065062079 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
德信化学（山东）有限公司15853369661 · [email protected]
山东智尚新材料有限公司
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