Civetone

HCID 5315941CAS 542-46-1
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Grundinformationen

Standard-SMILES
O=C1CCCCCCC/C=C\CCCCCCC1
InChIKey
ZKVZSBSZTMPBQR-UPHRSURJSA-N
Summenformel
C17H30O
Durchschnittliche Molmasse
250,4 g/mol
Monoisotopische Masse
250,22966558

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Civetone
IUPAC
(9Z)-cycloheptadec-9-en-1-one

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,1
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
18

Experimentelle und physikochemische Eigenschaften

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 · 2 Einträge

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

Physical DescriptionWhite or colourless crystalline mass; Musky aroma

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information9-Cycloheptadecen-1-one, (9Z)-: ACTIVE

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