CAS 1632-73-1 Fenchol (HCID 15406)

概要

fenchol has been reported in Magnolia officinalis, Baeckea frutescens, and other organisms with data available.

名称と識別子

優先名称: Fenchol
IUPAC: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
現地名: 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

FencholFENCHYL ALCOHOL1632-73-11,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol2-Fenchanol1,3,3-TRIMETHYL-2-NORBORNANOLFEMA No. 2480DTXSID10419701,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol410Q2GK1HFBicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-

名称をさらに表示

2-フェンチャノールフェンキルアルコール1,3,3-トリメチルノルボルナノールフェンチョールフェンチルアルコール2-フェンカノール1,3,3-トリメチルノルボルナン-2-オール1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-オールフェンコールフェンキルアルコ-ル1,3,3-トリメチル-2-ノルボルネオールフェンキルアルコール(FENCHフェンコール1,3,3-トリメチル-ビシクロ[2.2.1]ヘプタン-2-オール1,3,3-トリメチル-2-ノルボルナノール(+)-FENCHOLFenchyLFEMA 2480D-Fenchyl alcoholFENCHYL ALCOHOL, (FENCHOL)(SECONDARY STANDARD)C02344

DTXCID9021970RefChem:1401152,2,4-trimethylbicyclo(2.2.1)heptan-3-ol216-639-52-Norbornanol, 1,3,3-trimethyl-3,3-Dimethyl-8,9-dinorbornan-2-olalpha-FencholMFCD00066640

データベース識別子

CAS: 1632-73-1
PubChem CID: 15406
DTXSID: DTXSID1041970
ChEMBL: CHEMBL1907996
EC Number: 216-639-5
Nikkaji: J7.537J

物性

構造計算による物性

XLogP: 2.5
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: 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

FragrancesFragrance Ingredient (Fenchyl alcohol) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Soluble in vegetable oils; Very slightly soluble in water

Soluble (in ethanol)

Boiling Point201.00 to 202.00 °C. @ 760.00 mm Hg

Melting Point35.00 to 40.00 °C. @ 760.00 mm Hg

物理化学的性質

融点: 43 · 43-46 °C
沸点: 201 · 201-202 °C(lit.)
比重(密度): 0.8704 · 0.8704 (rough estimate)
屈折率: 1.4723 · 1.4723 (estimate)
FEMA: 2480 · 2480 | FENCHYL ALCOHOL
闪点: 165 °F · 165 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、エタノール（少量）、メタノール（少量）
外見: Solid-Liquid Mixture
酸解離定数(Pka): 15.38 · 15.38±0.60(Predicted)
色: White to Almost white
臭い (Odor): 100 %で。カンファー · 100.00%で。カンファーボルネオールパインウッディドライスイートレモン
においのタイプ: 樟脳のような
由来生物: synthetic
JECFA Number: 1397 · 1397
Henry's Law Constant: 3.5 · 3.5×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKey: IAIHUHQCLTYTSF-OYNCUSHFSA-N
SMILES: [H][C@]12CC[C@](C)(C1)[C@@H](O)C2(C)C
LogP: 2.71 · 2.71
CAS データベース: 1632 · 1632-73-1
NISTの化学物質情報: Fenchyl alcohol(1632-73-1)
EPAの化学物質情報: Fenchol (1632-73-1)

化学的性質

化学的特性Fenchyl alcohol has a camphor-like odor with citrus notes and a bitter, lime-like favor.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 97.4% (1590 of 1632) of all reports.

Not Classified

Aggregated GHS information provided per 1632 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-

Regulation (EC) No 1831/2003 (amended)

Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Bicyclo2.2.1heptan-2-ol, 1,3,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DT5080000
ridadr: UN 1325 4.1/PG 2
hs_code: 2906.19.5000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

U.S. Production2023: 114,583 lb

Industry UsesOther

Household ProductsInformation on 5 consumer products that contain Fenchyl Alcohol in the following categories is provided:

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-: ACTIVE

応用分野 · 3 件

説明Fenchyl alcohol has a camphor-like odor with citrus notes and a bitter, lime-like flavor. It is synthesized by reduction of fenchone or from pine terpenes.

天然物の起源Both the α- and the β-fenchyl alcohols are reported found in nature; in mixture, they are present in the essential oils of Picea alba, Pinus silvestris, pine oil, Artemisia santolinaefolia, and others; the isofenchyl alcohol (1,5,5-trimethyl-2-norbor- nanol) is not found in nature Reported found in citrus peel oils, grape, grape brandy, hop oil, nutmeg, rosemary, pepper, beer, tea, Ocimum basilicum, cognac, fennel and eucalyptus oil

使用Fenchol is a hop-derived aroma compound commonly found in beer.

調製方法

製造方法By reduction of fenchone or from pine terpenes.

純化方法It is prepared by reduction of (-)-fenchone and is purified by recrystallisation from *C6H6/pet ether, or distillation, or

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

化合物ノート

読み込み中…

1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-オール

基本情報

概要