Sabinene

HCID 18818CAS 3387-41-5

基本情報

標準SMILES: C=C1CCC2(C(C)C)CC12
InChIKey: NDVASEGYNIMXJL-UHFFFAOYSA-N
分子式: C10H16
平均分子量: 136.23 g/mol
単同位体質量: 136.12520051

概要

Sabinene is a thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has a role as a plant metabolite.

名称と識別子

優先名称: Sabinene
IUPAC: 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

名称と別名

SABINENE3387-41-5SabinenBicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexaneTHUJENE, 4(10)-DTXSID70863164CHEBI:500274-methylidene-1-propan-2-ylbicyclo[3.1.0]hexaneNSC-407278Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexane

名称をさらに表示

1-ISOPROPYL-4-METHYLENEBICYCLO(3.1.0)HEXANERefChem:55455DTXCID301341343222-212-47D1TL44GPC4(10)-Thujene4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexaneCitrus

データベース識別子

CAS: 3387-41-5
PubChem CID: 18818
DTXSID: DTXSID70863164
ChEMBL: CHEMBL452687
ChEBI: CHEBI:50027
EC Number: 222-212-4
Nikkaji: J7.728C

物性

構造計算による物性

XLogP: 3.1
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 178

実験および物理化学的性質

FragrancesFragrance Ingredient (Sabinene) -> IFRA transparency List

LogP4.63

Flavoring AgentsEU Flavoring substances

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 362 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26637

Bicyclo3.1.0hexane, 4-methylene-1-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (83.4%)

化学と産業

用途と製造

Household ProductsInformation on 1 consumer products that contain Sabinene in the following categories is provided:

Use ClassificationFragrance Ingredients