CAS 1632-73-1 Fenchol (HCID 15406)

개요

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

이름 및 식별자

우선 이름: Fenchol
IUPAC: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
영어명: FENCHOL
분자식: C10H18O
분자량: 154.25

이름 및 동의어

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-

이름 더 보기

(+)-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 185

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Fenchyl alcohol) -> IFRA transparency List

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

Flavoring AgentsEU Flavoring substances

Solubility · 2건

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

물리화학적 성질

녹는점: 43 · 43-46 °C
끓는 점: 201 · 201-202 °C(lit.)
밀도: 0.8704 · 0.8704 (rough estimate)
굴절률: 1.4723 · 1.4723 (estimate)
FEMA: 2480 · 2480 | FENCHYL ALCOHOL
인화점: 165 °F · 165 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 에탄올(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: Solid-Liquid Mixture
산도 계수 (pKa): 15.38 · 15.38±0.60(Predicted)
색상: 흰색에서 거의 흰색
냄새: 100 %에서 · 100.00%에서. 장뇌 보르네올 소나무 우디 건조 달콤한 레몬
냄새 유형: 녹나무 같은
생물학적 소스: synthetic
JECFA Number: 1397 · 1397
Henry's Law Constant: 3.5 · 3.5×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
주요 응용: 향료 및 향
화장품 원료 기능: 향수
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
NIST: Fenchyl alcohol(1632-73-1)
EPA: Fenchol (1632-73-1)

화학적 성질

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

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 4건

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DT5080000
ridadr: UN 1325 4.1/PG 2
HS 번호: 2906.19.5000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-26
기존화학 물질: KE-05-0517
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

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 · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

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

응용 분야 · 3건

개요Fenchyl 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.

출처Both 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

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

제조 방법

By reduction of fenchone or from pine terpenes.

공급사100 곳

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]

화합물 노트

불러오는 중…

Fenchol

기본 정보

개요