Civetone

HCID 5315941CAS 542-46-1

기본 정보

표준 SMILES: O=C1CCCCCCC/C=C\CCCCCCC1
InChIKey: ZKVZSBSZTMPBQR-UPHRSURJSA-N
분자식: C17H30O
평균 분자량: 250.4 g/mol
단동위원소 질량: 250.22966558

개요

Civetone is a macrocycle that is cycloheptadecanone with an unsaturation at position 9 (the 9Z-stereoisomer). It has been found in African Civets. It has a role as a pheromone, a fragrance and an animal metabolite. It is a cyclic ketone and a macrocycle.

이름 및 식별자

우선 이름: Civetone
IUPAC: (9Z)-cycloheptadec-9-en-1-one

이름 및 동의어

Civetonecis-Civetone542-46-19-Cycloheptadecen-1-one, (9Z)-FEMA No. 3425cycloheptadeca-9-en-1-oneP0K30CV1UECIVETTONECHEBI:78317DTXSID80883434RefChem:126616DTXCID60212728

이름 더 보기

208-813-4(9Z)-cycloheptadec-9-en-1-one(Z)-Cycloheptadec-9-enone9-Cycloheptadecen-1-one, (Z)-NSC 90305cycloheptadec-9-en-1-oneCivettone, alpha-trans-9-Cycloheptadecen-1-one, cis-

데이터베이스 식별자

CAS: 542-46-1、74244-64-7
PubChem CID: 5315941
DTXSID: DTXSID80883434
ChEBI: CHEBI:78317
UNII: P0K30CV1UE
EC Number: 208-813-4
Nikkaji: J57.867C

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 208

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (9-Cycloheptadecen-1-one) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Solubility · 2건

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

Physical DescriptionWhite or colourless crystalline mass; Musky aroma

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 79.1% (148 of 187) of all reports.

Warning

H315 (20.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 187 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 9-Cycloheptadecen-1-one, (Z)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

9-Cycloheptadecen-1-one, (9Z)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Exaltone and related macrocyclic musks

Hazard Classes and CategoriesSkin Irrit. 2 (20.9%)

화학 및 산업

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index