2-Tetradecylcyclobutanone
Basic information
- CAS
35493-47-1- Standard SMILES
CCCCCCCCCCCCCCC1CCC1=O- InChIKey
HTZLOIBLMXPDGR-UHFFFAOYSA-N- Molecular formula
- C18H34O
- Average molar mass
- 266.5 g/mol
- Monoisotopic mass
- 266.2609657
Overview
2-Tetradecylcyclobutanone is a cyclic ketone.
Names & identifiers
- Preferred name
- 2-Tetradecylcyclobutanone
- IUPAC
- 2-tetradecylcyclobutan-1-one
- English name
- 2-Tetradecyl-cyclobutanone
- Molecular formula
- C18H34O
- Molecular weight
- 266.46
Names & synonyms
2-Tetradecylcyclobutanone35493-47-12-tetradecylcyclobutan-1-oneCyclobutanone, 2-tetradecyl-6ZJN11424NDTXSID10340742RefChem:89427DTXCID30291823685-977-7UNII-6ZJN11424NCyclobutanone,2-tetradecyl-Cyclobutanone, 2-tetradecyl-; 2-(n-Tetradecyl)cyclobutanone; 2-Tetradecylcyclobutanone
Show more names
2-Tetradecyl-cyclobutanone2-Tetradecyl-1-cyclobutanone
2-Tetradecylcyclobutanone #2-TCB2-(n-Tetradecyl)cyclobutanone2-(Tetradecyl)-1-cyclobutanoneSCHEMBL30518306CHEBI:173893HTZLOIBLMXPDGR-UHFFFAOYSA-NMFCD00801046
Database identifiers
- CAS
35493-47-1- PubChem CID
- 566940
- DTXSID
DTXSID10340742- ChEBI
CHEBI:173893- UNII
- 6ZJN11424N
- EC Number
- 685-977-7
- Nikkaji
- J141.208F
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 39 · 39-43 °C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- Off-White to Light Pink
- FDA UNII
- 6 ZJN11424N · 6ZJN11424N
- Hazard statements
- 413 · H413
- Risk Statements
- 36 · 36/37/38-52
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38-52
- safety_code
- 26-36/37/39
- Hazard statements
- H413
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses2-Tetradecylcyclobutanone is a 2-alkylcyclobutanone that is commonly found in irradiated foods such as meats, nuts, cheeses and fish. Irradiation of food is a common method of food preservation, killing microorganisms that contaminate food or cause spoilage. 2-Tetradecylcyclobutanone is also a compound that may promote experimental colon carcinogenesis.
Additional notes
DefinitionChEBI: 2-Tetradecylcyclobutanone is a cyclic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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