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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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
- HSDB 8424
- 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
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3InChIKey
SLCVBVWXLSEKPL-UHFFFAOYSA-NSmiles
CC(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.