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Substance Name: Neopentyl glycol
RN: 126-30-7
UNII: QI80HXD6S5
InChIKey: SLCVBVWXLSEKPL-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-O2

Molecular Weight

  • 104.148
 
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Names and Synonyms

Name of Substance

  • 2,2-Dimethyl-1,3-propanediol
  • Neopentyl glycol

Synonyms

  • 1,3-Propanediol, 2,2-dimethyl-
  • 2,2-Dimethyl-1,3 propanediol
  • 2,2-Dimethyl-1,3-propanediol
  • 2,2-Dimethyltrimethylene glycol
  • 4-01-00-02551 (Beilstein Handbook Reference)
  • AI3-05739
  • BRN 0605291
  • CCRIS 3273
  • Dimethylolpropane
  • Dimethyltrimethylene glycol
  • EC 204-781-0
  • EINECS 204-781-0
  • Hydroxypivalyl alcohol
  • Neol
  • Neopentanediol
  • Neopentyl glycol
  • Neopentylene glycol
  • NPG
  • NSC 55836
  • UNII-QI80HXD6S5

Systematic Names

  • 1,3-Propanediol, 2,2-dimethyl-
  • 2,2-Dimethylpropane-1,3-diol

Superlist Names

  • 1,3-Propanediol, 2,2-dimethyl-
  • 2,2-Dimethylpropane-1,3-diol
  • Neopentyl glycol
  • Propanediol, 2,2-dimethyl-, 1,3-

Registry Numbers

CAS Registry Number

  • 126-30-7

FDA UNII

  • QI80HXD6S5

Other Registry Number

  • 111109-35-4

System Generated Number

  • 0000126307

Structure Descriptors

InChI

1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3

InChIKey

SLCVBVWXLSEKPL-UHFFFAOYSA-N

Smiles

C(CO)(CO)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 39000ppm/6H (39000ppm)   Kodak Company Reports. Vol. 21MAY1971,
rat LDLo oral 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21MAY1971,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 130 deg C   EXP
Boiling Point 208 deg C   EXP
log P (octanol-water) 0.160 (none)   EST
Atmospheric OH Rate Constant 8.66E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.