Neopentyl Glycol Dilaurate
Basic information
- CAS
10525-39-0- Standard SMILES
CCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCC- InChIKey
AICVNPFGQRNUCD-UHFFFAOYSA-N- Molecular formula
- C29H56O4
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 468.41786027
Names & identifiers
- Preferred name
- Neopentyl Glycol Dilaurate
- IUPAC
- (3-dodecanoyloxy-2,2-dimethylpropyl) dodecanoate
- English name
- 2,2-dimethylpropane-1,3-diyl dilaurate
- Molecular formula
- C29H56O4
- Molecular weight
- 468.75
Names & synonyms
NEOPENTYL GLYCOL DILAURATE10525-39-0EINECS 234-081-0UNII-GC3B1J321WGC3B1J321WNEOPENTYLENE DILAURATEDTXSID30147033LAURIC ACID, 2,2-DIMETHYL-1,3-PROPANEDIYL DIESTERDODECANOIC ACID, 1,1'-(2,2-DIMETHYL-1,3-PROPANEDIYL) ESTERRefChem:165338DTXCID7069524NEOPENTYL GLYCOL DILAURATE [INCI]
Show more names
Didodecanoic acid 2,2-dimethyl-1,3-propanediyl ester
234-081-0(3-dodecanoyloxy-2,2-dimethylpropyl) dodecanoate2,2-Dimethylpropane-1,3-diyl dilaurate2,2-dimethylpropane-1,3-diyl didodecanoateSCHEMBL1881320AICVNPFGQRNUCD-UHFFFAOYSA-Nneopentyl glycol dilaurate, AldrichCPR2,2-dimethyl-1,3-propanediol dilaurate
Database identifiers
- CAS
10525-39-0- PubChem CID
- 82701
- DTXSID
DTXSID30147033- UNII
- GC3B1J321W
- EC Number
- 234-081-0
- Nikkaji
- J212.458K
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Neopentyl Glycol Dilaurate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emulsifying
Physicochemical properties
- Boiling point
- 532.6 · 532.6±23.0 °C(Predicted)
- Density
- 0.911 · 0.911±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- SURFACTANT - EMULSIFYINGSKIN CONDITIONING
- InChI
- 1S/C29H56O4/c1-5-7-9-11-13-15-17-19-21-23-27(30)32-25-29(3,4)26-33-28(31)24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3
- InChIKey
- AICVNPFGQRNUCD-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCC
- FDA UNII
- 3 B1J321W · GC3B1J321W
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 3 · WGK 3
- Storage Class
- 12 · 12 - Non Combustible Liquids
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 Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- wgk
- WGK 3
- Storage Class
- 12 - Non Combustible Liquids
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Neopentyl Glycol Dilaurate
Use ClassificationCosmetics -> Skin conditioning; Emulsifying
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…