Basic information
- CAS
3603-99-4- Standard SMILES
O=C1CCCCCCCCCCCCC1- InChIKey
FUGDHQXYVPQGLJ-UHFFFAOYSA-N- Molecular formula
- C14H26O
- Average molar mass
- 210.36 g/mol
- Monoisotopic mass
- 210.19836545
Names & identifiers
- Preferred name
- Cyclotetradecan-1-one
- IUPAC
- cyclotetradecanone
- English name
- cyclotetradecan-1-one
- Molecular formula
- C14H26O
- Molecular weight
- 210.36
Names & synonyms
cyclotetradecanoneCyclotetradecan-1-one3603-99-4EINECS 222-758-3DTXSID50189596RefChem:581286DTXCID10112087222-758-3Cyclotetradecanone-cyclotetradecanonMM5Y5C3KJYSCHEMBL486942
Show more names
Cyclotetradecane-1-one
NS00012177
Database identifiers
- CAS
3603-99-4- PubChem CID
- 77153
- DTXSID
DTXSID50189596- UNII
- MM5Y5C3KJY
- EC Number
- 222-758-3
- Nikkaji
- J79.821E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 155 · 155-156 °C(Press: 12 Torr)
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 5.037 · 5.037 (est)
- EWG's Food Scores
- 1 · 1
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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclotetradecanone
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Other Safety InformationEvaluation - Exaltone and related macrocyclic musks
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Ryan Scientific, Inc.[email protected]
Related reactions
2 records
Compound notes
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