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Substance Name: Pinacol
RN: 76-09-5
UNII: 527QE7I5CO
InChIKey: IVDFJHOHABJVEH-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C6-H14-O2
Molecular Weight
- 118.175
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Pinacol
Synonyms
- 1,1,2,2-Tetramethylethylene glycol
- 2,3-Dimethyl-2,3-butanediol
- 4-01-00-02575 (Beilstein Handbook Reference)
- AI3-02251
- BRN 1340501
- EINECS 200-933-5
- NSC 25943
- Pinacol
- Pinacone
- Tetramethylethylene glycol
- UNII-527QE7I5CO
Systematic Names
- 2,3-Butanediol, 2,3-dimethyl-
- Pinacol
Superlist Name
- Pinacol
Registry Numbers
CAS Registry Number
- 76-09-5
FDA UNII
- 527QE7I5CO
Other Registry Number
- 52400-10-9
System Generated Number
- 0000076095
Structure Descriptors
InChI
1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3InChIKey
IVDFJHOHABJVEH-UHFFFAOYSA-NSmiles
C(C(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 3380mg/kg (3380mg/kg) | BEHAVIORAL: ANTICONVULSANT | Food and Cosmetics Toxicology. Vol. 14, Pg. 841, 1976. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 43 | deg C | EXP | |
Boiling Point | 174.4 | deg C | EXP | |
log P (octanol-water) | 0.540 | (none) | EST | |
Water Solubility | 3.51E+04 | mg/L | 25 | EST |
Vapor Pressure | 0.501 | mm Hg | 25 | EST |
Henry's Law Constant | 4.06E-07 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 2.35E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.