2-Tridecen-1-ol, acetate
Basic information
- CAS
68480-26-2- Standard SMILES
CCCCCCCCCC/C=C/COC(C)=O- InChIKey
UEGGJCHDRZTQMF-OUKQBFOZSA-N- Molecular formula
- C15H28O2
- Average molar mass
- 240.38 g/mol
- Monoisotopic mass
- 240.20893013
Names & identifiers
- Preferred name
- 2-Tridecen-1-ol, acetate
- IUPAC
- [(E)-tridec-2-enyl] acetate
- English name
- trans-2-Tridecenyl acetate
- Molecular formula
- C15H28O2
- Molecular weight
- 240.38
Names & synonyms
2-Tridecen-1-ol, acetateRefChem:4838222-Tridecenyl acetate[(E)-tridec-2-enyl] acetateTridecen-2-yl acetateSCHEMBL1301782UEGGJCHDRZTQMF-OUKQBFOZSA-NLMFA07010281SFE 13:1(2E)/2:0SFE(13:1(2E)/2:0)tridec-2-en-1-yl acetatetrans-2-Tridecenyl acetate
Show more names
2-Tridecen-1-ol, 1-acetate(E)-2-tridecen-1-yl acetateAcetic acid 2-tridecenyl esterCONTAINS:2-TRIDECEN-1-OL,ACETATE
Database identifiers
- CAS
68480-26-2- PubChem CID
- 6437544
- Nikkaji
- J326.651F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- Boiling point
- 309.5 · 309.5±11.0 °C(Predicted)
- Density
- 0.879 · 0.879±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. waxy fruity pear apple
- Odor Type
- waxy
- LogP
- 6.184 · 6.184 (est)
- EPA Substance Registry System
- 2 · 2-Tridecen-1-ol, acetate (68480-26-2)
- 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.
Hazard information
Regulatory Information
Chemical: 2-Tridecen-1-ol, acetate
2-Tridecen-1-ol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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