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Substance Name: 2,6-Dimethyl-2-heptanol
RN: 13254-34-7
UNII: 991142090Z
InChIKey: HGDVHRITTGWMJK-UHFFFAOYSA-N
Note
- Fragrance.
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C9-H20-O
Molecular Weight
- 144.256
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2,6-Dimethyl-2-heptanol
Synonyms
- 2,6-Dimethylheptan-2-ol
- 2-01-00-00457 (Beilstein Handbook Reference)
- 2-Heptanol, 2,6-dimethyl-
- BRN 1733525
- Dimetol
- EINECS 236-244-1
- Freesiol
- Lolitol
- UNII-991142090Z
Systematic Names
- 2,6-Dimethylheptan-1-ol
- 2-Heptanol, 2,6-dimethyl-
Registry Numbers
CAS Registry Number
- 13254-34-7
FDA UNII
- 991142090Z
Other Registry Number
- 80450-43-7
System Generated Number
- 0013254347
Structure Descriptors
InChI
1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3InChIKey
HGDVHRITTGWMJK-UHFFFAOYSA-NSmiles
OC(CCCC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 30, Pg. 23S, 1992. | |
| rat | LD50 | oral | 6800mg/kg (6800mg/kg) | Food and Chemical Toxicology. Vol. 30, Pg. 23S, 1992. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Boiling Point | 173 | deg C | EXP | |
| log P (octanol-water) | 3.110 | (none) | EST | |
| Atmospheric OH Rate Constant | 1.11E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.