(+-)-2-Tetradecanol
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Basic information
- CAS
4706-81-4- Standard SMILES
CCCCCCCCCCCCC(C)O- InChIKey
BRGJIIMZXMWMCC-UHFFFAOYSA-N- Molecular formula
- C14H30O
- Average molar mass
- 214.39 g/mol
- Monoisotopic mass
- 214.22966558
Overview
Tetradecan-2-ol is a fatty alcohol that is tetradecane substituted by a hydroxy group at position 2. It has a role as a human metabolite. It is a secondary fatty alcohol and a tetradecanol.
Names & identifiers
- Preferred name
- (+-)-2-Tetradecanol
- IUPAC
- tetradecan-2-ol
- English name
- 2-TETRADECANOL
- Molecular formula
- C14H30O
- Molecular weight
- 214.39
Names & synonyms
2-TETRADECANOLTetradecan-2-ol4706-81-4CHEBI:84284DTXSID00871095(+-)-2-TetradecanolRefChem:1049021DTXCID40818767225-192-5sec-Tetradecyl alcoholTetradecanol-2MFCD00004552
Show more names
etradecan-2-ol2-Tetradecanol >2-TETRADECANOL 96+%Dodecylmethylcarbinol2-TETRADECANOL ,90-95%
(+/-)-2-Tetradecanol; 1-Methyltridecyl Alcohol; NSC 87599NSC875991-methyl-tridecanolEINECS 225-192-5NSC 875992-Tetradecyl Alcohol2-Tetradecanol, 98%AI3-35271
Database identifiers
- CAS
4706-81-4- PubChem CID
- 20831
- DTXSID
DTXSID00871095- ChEMBL
CHEMBL449586- ChEBI
CHEBI:84284- EC Number
- 225-192-5
- Nikkaji
- J47.246H
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 35 · 35-36 °C(lit.)
- Boiling point
- 170 °C · 170 °C / 14mmHg
- Density
- 0.8315 · 0.8315
- refractive index
- 1.4444 · 1.4444
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 15.27 · 15.27±0.20(Predicted)
- color
- White to Off-White
- Henry's Law Constant
- 1.7 · 1.7×10-1 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012)
- LogP
- 5.778 · 5.778 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2905.19.9090
- safety_code
- 22-24/25
Chemistry & industry
Applications
Uses2-Tetradecanol is used in the development of diagnostic aid for bacterial infection in wounds.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A fatty alcohol that is tetradecane substituted by a hydroxy group at position 2.
Related reactions
4 records
Compound notes
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