Dodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Basic information
- CAS
10332-31-7- Standard SMILES
CCCCCCCCCCCC(=O)OCC(CO)(CO)CO- InChIKey
ZJLATTXAOOPYRU-UHFFFAOYSA-N- Molecular formula
- C17H34O5
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.24062418
Names & identifiers
- Preferred name
- Dodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- IUPAC
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dodecanoate
- English name
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl laurate
- Molecular formula
- C17H34O5
- Molecular weight
- 318.45
Names & synonyms
10332-31-7Dodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl esterEINECS 233-722-1DTXSID3065037RefChem:135450DTXCID90327953-Hydroxy-2,2-bis(hydroxymethyl)propyl laurate[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dodecanoateEY6BPT7FQNSCHEMBL3240403-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL DODECANOATEZJLATTXAOOPYRU-UHFFFAOYSA-N
Show more names
Pentaerythritol lauratePentaerythritol dodecanoatePentaerythrityl monolaurate2,2-Bis(hydroxymethyl)-1,3-propanediol 1-laurateLauric acid 3-hydroxy-2,2-bis(hydroxymethyl)propyl esterLauric acid 2,2-bis(hydroxymethyl)-3-hydroxypropyl ester
NS00023221
Database identifiers
- CAS
10332-31-7- PubChem CID
- 82547
- DTXSID
DTXSID3065037- UNII
- EY6BPT7FQN
- EC Number
- 233-722-1
- Nikkaji
- J122.513H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 96.2 °C · 96.2 °C
- Boiling point
- 443.2 · 443.2±40.0 °C(Predicted)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- pka
- 13.51 · 13.51±0.10(Predicted)
- EPA Substance Registry System
- 3 · Dodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester (10332-31-7)
- 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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationDodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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