10-Hydroxydecyl butyrate
Basic information
- CAS
80054-63-3- Standard SMILES
CCCC(=O)OCCCCCCCCCCO- InChIKey
KKIBZIXNDVWPDF-UHFFFAOYSA-N- Molecular formula
- C14H28O3
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.20384475
Names & identifiers
- Preferred name
- 10-Hydroxydecyl butyrate
- IUPAC
- 10-hydroxydecyl butanoate
- English name
- 10-Hydroxydecyl butyrate
- Molecular formula
- C14H28O3
- Molecular weight
- 244.37
Names & synonyms
10-Hydroxydecyl butyrate80054-63-3DTXSID10399912RefChem:235716DTXCID9035076810-hydroxydecyl ButanoateSCHEMBL726784210-Hydroxydecyl butyrate, Selectophore(TM), >=98.0%ETH 264Butanoic acid, 10-hydroxydecyl ester
Database identifiers
- CAS
80054-63-3- PubChem CID
- 4147679
- DTXSID
DTXSID10399912
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Density
- 0.932 g/mL · 0.932 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.448
- BRN
- 2252705 · 2252705
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- F
- 9 · 9
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
- F
- 9
- wgk
- 3
- safety_code
- 24/25
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Related reactions
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Compound notes
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