|
|
|
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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
InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3InChIKey
IVDFJHOHABJVEH-UHFFFAOYSA-NSmiles
CC(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.