Basic information
- CAS
593-03-3- Standard SMILES
CCCCCCCCCCCCCC(O)CC- InChIKey
ACDUHTSVVVHMGU-UHFFFAOYSA-N- Molecular formula
- C16H34O
- Average molar mass
- 242.44 g/mol
- Monoisotopic mass
- 242.2609657
Overview
Hexadecan-3-ol is a secondary fatty alcohol that is hexadecane substituted by a hydroxy group at position 3. It has a role as a plant metabolite and a bacterial metabolite. It is a secondary fatty alcohol and a hexadecanol.
Names & identifiers
- Preferred name
- Hexadecan-3-ol
- IUPAC
- hexadecan-3-ol
- English name
- 3-Hexadecanol
- Molecular formula
- C16H34O
- Molecular weight
- 242.44
Names & synonyms
Hexadecan-3-ol593-03-3EINECS 209-781-4DTXSID60870645RefChem:785940DTXCID40818348209-781-43-HexadecanolMFCD000514803-hydroxyhexadecaneethyl n-tridecyl carbinol(+/-)-3-Hexadecanol
Show more names
3-HEXADECANOL 97%
NU94NZ5JPTSCHEMBL133933orb2664719orb2900316SCHEMBL1543114SCHEMBL6257281CHEBI:197390AKOS005063329
Database identifiers
- CAS
593-03-3- PubChem CID
- 79052
- DTXSID
DTXSID60870645- ChEBI
CHEBI:197390- UNII
- NU94NZ5JPT
- EC Number
- 209-781-4
- Nikkaji
- J188.469G
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 50 °C · 50°C
- Boiling point
- 315.27 °C · 315.27°C (estimate)
- Density
- 0.8 · 0.8000
- refractive index
- 1.426 · 1.4260 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.26 · 15.26±0.20(Predicted)
- Appearance
- White to off-white Solid
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
Hebei Zhuanglai Chemical Trading Co.,Ltd
Related reactions
2 records
Compound notes
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