Basic information
- CAS
542-46-1- Standard SMILES
O=C1CCCCCCC/C=C\CCCCCCC1- InChIKey
ZKVZSBSZTMPBQR-UPHRSURJSA-N- Molecular formula
- C17H30O
- Average molar mass
- 250.4 g/mol
- Monoisotopic mass
- 250.22966558
Overview
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.
Names & identifiers
- Preferred name
- Civetone
- IUPAC
- (9Z)-cycloheptadec-9-en-1-one
- English name
- CIVETONE
- Molecular formula
- C17H30O
- Molecular weight
- 250.42
Names & synonyms
Civetonecis-Civetone542-46-19-Cycloheptadecen-1-one, (9Z)-FEMA No. 3425cycloheptadeca-9-en-1-oneP0K30CV1UECIVETTONECHEBI:78317DTXSID80883434RefChem:126616DTXCID60212728
Show more names
FEMA 3425ZibetoncivettonAi3-38745Brn 1954923(Z)-CivetoneCIVETONE USP/EP/BP
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-
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
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
Soluble in oils; Slightly soluble in water
Soluble (in ethanol)
Physical DescriptionWhite or colourless crystalline mass; Musky aroma
Physicochemical properties
- Melting point
- 31 · 31-32°
- Boiling point
- 742 · bp742 342°; bp2 59°
- Density
- 433 · d433 0.917
- FEMA
- 3425 · 3425 | CYCLOHEPTADECA-9-EN-1-ONE
- refractive index
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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%)
Safety data
- tsca
- TSCA listed
- Toxicity
- The acute oral LD50 value in rats was reported as > 5 g/kg and the acute dermal LD50 value in rabbits exceeded 2 g/kg (Moreno. 1974).
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
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 Information9-Cycloheptadecen-1-one, (9Z)-: ACTIVE
Applications
OccurrenceIn civet (cis-form).
UsesIn perfumery.
Preparation methods
PreparationFrom aleuritic acid, the trans- form only; the cis- and trans-forms from ethyl-9-keto heptadecanedioate.
Upstream & downstream products
Upstream raw materials
Suppliers76 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Related reactions
10 records
Compound notes
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