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

HCID 62367CAS 546-79-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)C12CCC(C)(O)C1C2
InChIKey: KXSDPILWMGFJMM-UHFFFAOYSA-N
分子式: C10H18O
平均分子量: 154.25 g/mol
単同位体質量: 154.1357652

概要

Sabinene hydrate is a p-menthane monoterpenoid.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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-)

データベース識別子

CAS: 546-79-2
PubChem CID: 62367
DTXSID: DTXSID40862164
ChEMBL: CHEMBL5305985
ChEBI: CHEBI:16377
EC Number: 208-911-7
Nikkaji: J52.222H

物性

構造計算による物性

XLogP: 2.1
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 187

実験および物理化学的性質

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)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

化学と産業

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index