5-Cyclopentadecen-1-one, 3-methyl-
Basic information
- CAS
63314-79-4- Standard SMILES
CC1CC=CCCCCCCCCCC(=O)C1- InChIKey
NKMKFQCVDZVEJR-UHFFFAOYSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Names & identifiers
- Preferred name
- 5-Cyclopentadecen-1-one, 3-methyl-
- IUPAC
- 3-methylcyclopentadec-5-en-1-one
- English name
- (5E)-3-methylcyclopentadec-5-en-1-one
- Molecular formula
- C16H28O
- Molecular weight
- 236.39
Names & synonyms
5-Cyclopentadecen-1-one, 3-methyl-DTXSID805138663314-79-43-methyl-5-cyclopentadecen-1-oneRefChem:102424DTXCID9029988SCHEMBL29411163NKMKFQCVDZVEJR-UHFFFAOYSA-N3-methylcyclopentadec-5-en-1-oneNS00019534(E)-3-Methyl-5-cyclopentadecene-1-one(5E)-3-methylcyclopentadec-5-en-1-one
Database identifiers
- CAS
63314-79-4- PubChem CID
- 54116156
- DTXSID
DTXSID8051386- EC Number
- 620-552-1
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3-Methyl-5-cyclopentadecen-1-one) -> IFRA transparency List
Physical DescriptionCBI
Physicochemical properties
- Boiling point
- 346.7 · 346.7±21.0 °C(Predicted)
- Density
- 0.9378 g/cm3 · 0.9378 g/cm3
- EPA Substance Registry System
- 5 · 5-Cyclopentadecen-1-one, 3-methyl- (63314-79-4)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H410
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
5-Cyclopentadecen-1-one, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5-Cyclopentadecen-1-one, 3-methyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-methyl-5-cyclopentadecen-1-one: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H410
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesFragrance
Household ProductsInformation on 6 consumer products that contain 5-Cyclopentadecen-1-one, 3-methyl- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information5-Cyclopentadecen-1-one, 3-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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