neopentyl glycol
2,2-dimethyl-1,3-propane diol
Identification
| Name | neopentyl glycol |
| IUPAC | 2,2-dimethylpropane-1,3-diol |
| CAS Number | 126-30-7 |
| EINECS | 204-781-0 |
| FDA UNII | QI80HXD6S5 |
| Molecular Formula | C5 H12 O2 |
| Molecular Weight | 104.14904000 |
| MDL Number | MFCD00004685 |
| Nikkaji Number | J2.511I |
| Beilstein | 0605291 |
Regulatory
| DG SANTE Food Contact Materials | 2,2-dimethyl-1,3-propanediol |
| FDA Mainterm (IAUFC) | 126-30-7 ; NEOPENTYL GLYCOL |
Physical Properties
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 130.00 °C. @ 760.00 mm Hg |
| Boiling Point | 208.00 °C. @ 760.00 mm Hg |
| Saponification Value | 195.00 to 196.00 |
| Vapor Pressure | 0.045000 mmHg @ 25.00 °C. (est) |
| Flash Point | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w) | -0.343 (est) |
| Soluble in | water, 8.253e+004 mg/L @ 25 °C (est) |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | plasticisers |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LDLo 3200 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-rat LCLo 39000 ppm/6H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | plasticizers |
| Recommendation for neopentyl glycol usage levels up to | not for fragrance use. |
| Recommendation for neopentyl glycol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
2,2-
dimethyl propane-1,3-diol
dimethyl trimethylene glycol
2,2-
dimethyl-1,3-propane diol
2,2-
dimethyl-1,3-propanediol
dimethylol propane
2,2-
dimethylpropane-1,3-diol
dimethyltrimethylene glycol
hydroxypivalyl alcohol
NPG glycol
neo
pentane diol
neo
pentylene glycol
neo
pentylglycol
propane-1,3-diol, 2,2-dimethyl-
1,3-
propanediol, 2,2-dimethyl-
PubMed:
Improved Glucose-Neopentyl Glycol (GNG) Amphiphiles for Membrane Protein Solubilization and Stabilization.
PubMed:
Solvent effect and reactivity trend in the aerobic oxidation of 1,3-propanediols over gold supported on titania: NMR diffusion and relaxation studies.
PubMed:
Allylation reactions of aldehydes with allylboronates in aqueous media: unique reactivity and selectivity that are only observed in the presence of water.
PubMed:
The role of ligands on the equilibria between functional states of a G protein-coupled receptor.
PubMed:
High specificity in response of the sodium-dependent multivitamin transporter to derivatives of pantothenic acid.
PubMed:
Oligomeric structure and functional characterization of Caenorhabditis elegans Innexin-6 gap junction protein.
PubMed:
The rhodopsin-transducin complex houses two distinct rhodopsin molecules.
PubMed:
Hemifluorinated maltose-neopentyl glycol (HF-MNG) amphiphiles for membrane protein stabilisation.
PubMed:
Glucose-neopentyl glycol (GNG) amphiphiles for membrane protein study.
PubMed:
Studies toward the unique pederin family member psymberin: full structure elucidation, two alternative total syntheses, and analogs.
PubMed:
Characterization and two-dimensional crystallization of membrane component AlkB of the medium-chain alkane hydroxylase system from Pseudomonas putida GPo1.
PubMed:
Role of detergents in conformational exchange of a G protein-coupled receptor.
PubMed:
Crystallization and preliminary X-ray analysis of membrane-bound pyrophosphatases.
PubMed:
Building materials. VOC emissions, diffusion behaviour and implications from their use.
PubMed:
[Survey of plasticizers in polyvinyl chloride toys].
PubMed:
Evidence for an intermediate conformational state of LacY.
PubMed:
Highly crosslinked polymeric monoliths for reversed-phase capillary liquid chromatography of small molecules.
PubMed:
Maltose-neopentyl glycol (MNG) amphiphiles for solubilization, stabilization and crystallization of membrane proteins.
PubMed:
Magnetothermal studies of a series of coordination clusters built from ferromagnetically coupled {Mn(II) (4)Mn(III) (6)} supertetrahedral units.
PubMed:
Total synthesis of (+)-psymberin (irciniastatin A): catalytic reagent control as the strategic cornerstone.
PubMed:
Solid-liquid interfacial energy of neopentylglycol.
PubMed:
Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
PubMed:
Tandem mass spectrometry characteristics of polyester anions and cations formed by electrospray ionization.
PubMed:
One-pot synthesis of star-shaped macromolecules containing polyglycidol and poly(ethylene oxide) arms.
PubMed:
Hydroxyapatite implants with designed internal architecture.
PubMed:
Characterization of polyesters by matrix-assisted laser desorption/ionization and Fourier transform mass spectrometry.
PubMed:
Preparation of polyol esters based on vegetable and animal fats.
PubMed:
On the suitability of fiberglass reinforced polyester as building material for mesocosms.
PubMed:
Polymer Analysis by Liquid Chromatography/Electrospray Ionization Time-of-Flight Mass Spectrometry.
PubMed:
Contact allergy to neopentyl glycol di-iso-octanoate.
PubMed:
Occurrence of short chain aliphatic diols in human blood: identification by gas chromatography-mass spectrometry.
PubMed:
Dermal oncogenicity bioassays of monofunctional and multifunctional acrylates and acrylate-based oligomers.
PubMed:
Influence of the vehicle on elicitation of contact allergic reactions to acrylic compounds in the guinea pig.
PubMed:
The sensitizing capacity of multifunctional acrylates in the guinea pig.
PubMed:
Method for the routine quantitative gas chromatographic analysis of major free fatty acids in butter and cream.
PubMed:
Biotransformation of the sedative 1-(p-chlorophenyl)-2,2-dimethyl-1,3-propanediol 3-carbamate in humans and five animal species.
PubMed:
The gas-liquid chromatography of carboxylic acid esters of the urinary 11-deoxy-17-oxo steroids. Determination as n-butyrates.