基本情報
- CAS
14575-74-7- 標準SMILES
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1O- InChIKey
IAIHUHQCLTYTSF-MRTMQBJTSA-N- 分子式
- C10H18O
- 平均分子量
- 154.25 g/mol
- 単同位体質量
- 154.13576519
概要
(-)-endo-fenchol is a fenchane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 3 and 3 and a hydroxy group at position 2 (the 1S,2S,4R stereoisomer). It has a role as a volatile oil component and a plant metabolite. It is a fenchane monoterpenoid and a carbobicyclic compound.
名称と識別子
- 優先名称
- (-)-alpha-Fenchol
- IUPAC
- (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
- 現地名
- (1S,2S,4R)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-オール
- 英語名
- FENCHOL
- 分子式
- C10H18O
- 分子量
- 154.25
名称と別名
512-13-0(-)-endo-Fenchol(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-oll-alpha-Fenchyl alcoholUJ108AQX3M(-)-alpha-fencholalpha-Fenchyl alcohol, (-)-DTXSID7041205Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S-endo)-CHEBI:15405(1S,2S,4R)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-olRefChem:1049075
名称をさらに表示
(1S,2S,4R)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-オール1-α-フェンチルアルコール(1S,4R)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2α-オール(-)-endo-フェンコールALPHA FENCHOLFEMA 2480(-)-α-Fenchol1-α-Fenchyl alcohol(1R)-ENDO-(+)-FENCHOL(1R)-ENDO-(+)-FENCHYL ALCOHOL
DTXCID5021205alpha-Fencholendo-Fencholalpha-Fenchyl alcoholBicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1S,2S,4R)-endo-alpha-Fencholendo-fenchyl alcohol(-)-alpha-Fenchyl alcohol
データベース識別子
- CAS
14575-74-7、512-13-0- PubChem CID
- 439711
- DTXSID
DTXSID101014534- ChEBI
CHEBI:15405- UNII
- UJ108AQX3M
- EC Number
- 208-135-9
- Nikkaji
- J156.725J
物性
構造計算による物性
- XLogP
- 2.5
- 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
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 185
実験および物理化学的性質
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient ((-)-.alpha.-Fenchol) -> IFRA transparency List
物理化学的性質
- 融点
- 43 · 43-46 °C
- 沸点
- 201 · 201-202 °C(lit.)
- 比重(密度)
- 0.9034 · 0.9034
- 屈折率
- 1.4702 · 1.4702 (estimate)
- 闪点
- 165 °F · 165 °F
- 酸解離定数(Pka)
- 15.38 · 15.38±0.60(Predicted)
- 臭い (Odor)
- 100 %で。素朴な木質の · 100.00%で。素朴な木質の
- においのタイプ
- 土っぽい
- 化粧品成分の機能
- 香料
- LogP
- 2.71 · 2.71
- EPAの化学物質情報
- .alpha.-Fenchol (512-13-0)
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1S-endo)-
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1S-endo)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1S-endo)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325 4.1/PG 2
- safety_code
- 22-24/25
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing InformationBicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1S,2S,4R)-: ACTIVE
サプライヤー2 社
BOC Sciences[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
補足説明
定義ChEBI: A fenchane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 3 and 3 and a hydroxy group at position 2 (the 1S,2S,4R stereoisomer).
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…