基本情報
- CAS
18368-91-7- 標準SMILES
CCC1(O)C2(C)CCC(C2)C1(C)C- InChIKey
KIPCKEJKGCXRGA-UHFFFAOYSA-N- 分子式
- C12H22O
- 平均分子量
- 182.3 g/mol
- 単同位体質量
- 182.16706532
概要
2-ethylfenchol is a tertiary alcohol, a fenchane monoterpenoid and a carbobicyclic compound. It has a role as a fragrance and a plant metabolite.
名称と識別子
- 優先名称
- 2-Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-ol
- IUPAC
- 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
- 現地名
- 2-エチル-1,3,3-トリメチル-2-ノルボルナノール
- 英語名
- 2-Ethylfenchol
- 分子式
- C12H22O
- 分子量
- 182.3
名称と別名
18368-91-72-Ethyl fenchol2-ETHYL-1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-OLFEMA No. 3491OH8YI97N622-Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-olDTXSID301014528RefChem:1063006DTXCID0021670242-243-72-Ethylfenchol2-Ethyl-1,3,3-trimethyl-2-norbornanol
名称をさらに表示
2-エチル-1,3,3-トリメチル-2-ノルボルナノール2-エチル-1,3,3-トリメチルノルボルナン-2-オール2-エチル-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-オールTERRASOL FCCTERRASOL 50ETHYLFENCHOL1 6-HEXANEDITHIOL 97+%2-Ethylfenchol >=97%, FCC, FGBicyclo2.2.1heptan-2-ol, 2-ethyl-1,3,3-trimethyl-
Ethyl fenchol67952-68-5FEMA 3491Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-olMFCD00036629Bicyclo(2.2.1)heptan-2-ol, 2-ethyl-1,3,3-trimethyl-Bicyclo[2.2.1]heptan-2-ol, 2-ethyl-1,3,3-trimethyl-Bicyclo(2.2.1)heptan-2-ol, ethyl-1,3,3-trimethyl-
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 20.2 Ų
- 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
- 13
- 形式電荷
- 0
- 複雑度
- 233
実験および物理化学的性質
Fragrances
Fragrance Ingredient (2-Ethyl-1,3,3-trimethyl-2-norbornanol) -> IFRA transparency List
Fragrance Ingredient (Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.946-0.967
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, propylene glycol, most fixed oils; insoluble in water
(in ethanol)
Boiling Point232 °C
Refractive Index1.470-1.491
Physical Descriptioncolourless to pale yellow liquid with a sharp, camphoraceous odour
物理化学的性質
- 沸点
- 105 °C15 · 105 °C15 mm Hg(lit.)
- 比重(密度)
- 0.956 g/mL · 0.956 g/mL at 25 °C(lit.)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (123 of 123) of all reports.
Not Classified
Aggregated GHS information provided per 123 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Norbornanol, 2-ethyl-1,3,3-trimethyl-
Chemical: Bicyclo[2.2.1]heptan-2-ol, ethyl-1,3,3-trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Bicyclo2.2.1heptan-2-ol, 2-ethyl-1,3,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Bicyclo[2.2.1]heptan-2-ol, ethyl-1,3,3-trimethyl-: Environment tier I assessment
IMAP assessments - 2-Norbornanol, 2-ethyl-1,3,3-trimethyl-: Environment tier I assessment
Hazard Classes and Categories
Not Classified
Not Classified
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Bicyclo[2.2.1]heptan-2-ol, 2-ethyl-1,3,3-trimethyl-: ACTIVE
Bicyclo[2.2.1]heptan-2-ol, ethyl-1,3,3-trimethyl-: ACTIVE
上流・下流製品情報
上流原料
サプライヤー7 社
PENTA[email protected]
PFALTZ-BAUER[email protected]
BDOUKIAN-IP[email protected]
北京北大正元科技有限公司[email protected]
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
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