2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol

HCID 62367CAS 546-79-2

부분 구조 검색 유사 구조 찾기

기본 정보

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

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

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 물성

XLogP: 2.1
극성 표면적: 20.2 Å²
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)

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 2건

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%)

화학 및 산업

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index