2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
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기본 정보
- CAS
546-79-2- 표준 SMILES
CC(C)C12CCC(C)(O)C1C2- InChIKey
KXSDPILWMGFJMM-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.1357652
개요
Sabinene hydrate is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- 2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
- IUPAC
- 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
- 영어명
- 4-Thujanol
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
Sabinenehydrate2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-olRefChem:910064208-911-7Sabinene hydrate546-79-24-Thujanol5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol(Z)-Sabinene hydrateFEMA No. 3239
이름 더 보기
TRANS-SABINENE HYDRATE(E)-Sabinene hydrateFEMA 3239cis-4-Thujanoltrans-4-ThujanolISOTHUJOL2-methyl-5-(1-methylethyl)-Bicyclo[3.1.0]hexan-2-ol
Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-cis-Sabinene hydrate4-Thujanol (natural)cis-SabinenehydrateBicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; 4-Thujanol (6CI,7CI,8CI); 2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; Sabinene hydrateEINECS 208-911-7sabinene hydrate (cis-)
데이터베이스 식별자
- CAS
546-79-2- PubChem CID
- 62367
- DTXSID
DTXSID40862164- ChEMBL
CHEMBL5305985- ChEBI
CHEBI:16377- EC Number
- 208-911-7
- Nikkaji
- J52.222H
물성
구조 계산 물성보충 중
- 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
- 187
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (4-Thujanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Pointtrans 193-196 °C; cis 195-200 °C
Refractive Indextrans, 1.443 (60 °C); cis, 1.449 (60 °C)
Physical Descriptionterpineol odour
물리화학적 성질
- 녹는점
- 58 · 58-62 °C
- 끓는 점
- 201.7 · 201.7±8.0 °C(Predicted)
- 밀도
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- FEMA
- 3239 · 3239 | 4-THUJANOL
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름, 에탄올(약간 용해됨), 헥산(약간 용해됨)
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 78.3% (90 of 115) of all reports.
Warning
H226 (21.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-
Bicyclo3.1.0hexan-2-ol, 2-methyl-5-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (21.7%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- F 고인화성물질
- 8-10-23
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-: ACTIVE
응용 분야
출처Reported found in peppermint oil (trans-form), lemon juice, mandarin peel oil, mandarin, nutmeg, peppermint, rosemary, scotch spearmint, tarragon, thyme, black currant (buds), Vitis vinifera L., ginger, spearmint oil, other Mentha oils, pepper, sweet marjoram, cardamom, origanum, dill herb, Oscimum basilicum varieties and laurel.
용도Sabinene Hydrate is a monoterpene and an essential oil component, found to have antifungal activity.
관련 반응
2건
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