基本情報
- CAS
1195-79-5- 標準SMILES
CC1(C)C(=O)[C@]2(C)CC[C@H]1C2- InChIKey
LHXDLQBQYFFVNW-OIBJUYFYSA-N- 分子式
- C10H16O
- 平均分子量
- 152.23 g/mol
- 単同位体質量
- 152.12011513
概要
(1R,4S)-fenchone is a fenchone that has (1R,4S)-stereochemistry. It is a constituent of the essential oils obtained from fennel. It has a role as a plant metabolite. It is an enantiomer of a (1S,4R)-fenchone.
名称と識別子
- 優先名称
- (-)-Fenchone
- IUPAC
- (1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
- 現地名
- 1,3,3-トリメチルノルボルナン-2-オン
- 英語名
- Fenchone
- 分子式
- C10H16O
- 分子量
- 152.23
名称と別名
(-)-Fenchone7787-20-4L-Fenchone(1R)-(-)-Fenchonel-alpha-Fenchone(1R,4S)-fenchone(1R)-fenchone(1R,4S)-fenchan-2-oneFenchone, (-)-K6G5Y2Y3Q2FEMA NO. 4519(4R)-2,2,4-trimethylbicyclo(2.2.1)heptan-3-one
名称をさらに表示
フェンコーンフェンコン1,3,3-トリメチル-2-ノルボルナノンフェンチョン1,3,3-トリメチルノルボルナン-2-オン1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-オンNEFenchonNSC 8896FENCHONENSC 122687DL-fenchone3,3-dimethyl-DELTA-FENCHONEFENCHON TECHN.1,3,3-Trimethylnorcamphor
(1R,4S)-(-)-Fenchonefenchone, (1R)-isomerRefChem:1049105EINECS 232-107-5( -)-Fenchone(-)-1,3,3-Trimethyl-2-norbornanone232-107-5(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
データベース識別子
- CAS
1195-79-5、7787-20-4
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 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
- 217
実験および物理化学的性質
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient (l-Fenchone) -> IFRA transparency List
LogP3.17
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.941-0.946
Solubility
Practically insoluble to insoluble
Soluble (in ethanol)
Boiling Point192-194 °CC
Refractive Index1.461-1.465
Physical DescriptionClear colorless to pale yellow liquid, Camphor herbal earthy woody aroma
物理化学的性質
- 融点
- 191 · 191.0-192.5℃
- 沸点
- 193 · 193-193.5℃
- 比重(密度)
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 84.5% (284 of 336) of all reports.
Warning
H226 (14%): 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 336 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
REACH registered substance: 1,3,3-trimethylnorbornan-2-one (EC: 232-107-5)
Bicyclo2.2.1heptan-2-one, 1,3,3-trimethyl-, (1R,4S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (14%)
安全データ
- tsca
- TSCA listed
- 化審法
- 新規公示化学物質（2011年4月1日以降届出）
化学と産業
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1R,4S)-: ACTIVE
応用分野
使用Fenchone is a monoterpene with anti-inflammatory and antimicrobial properties. It also inhibits β-secretase (BACE1), a drug target for Alzheimer''s disease.
使用Fenchone has a wide range of uses, such as:1. constituent of absinthe and the essential oil of fennel2. used to repel insects3. used as flavor in candy and baked goods, as well as alcoholic and non-alcoholic beverages4. used for soaps, detergents, perfumes, lotions
サプライヤー36 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
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