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Substance Name: 3-Heptanol
RN: 589-82-2
UNII: 12YBT48HMK
InChIKey: RZKSECIXORKHQS-UHFFFAOYSA-N
Molecular Formula
- C7-H16-O
Molecular Weight
- 116.202
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3-Heptanol
Synonyms
- 3-Heptanol
- 3-Hydroxyheptane
- 4-01-00-01741 (Beilstein Handbook Reference)
- AI3-21994
- BRN 1719067
- Butyl ethyl carbinol
- EINECS 209-661-1
- Ethyl butyl carbinol
- FEMA No. 3547
- NSC 2586
- UNII-12YBT48HMK
Systematic Name
- 3-Heptanol
Superlist Name
- 3-Heptanol
Registry Numbers
CAS Registry Number
- 589-82-2
FDA UNII
- 12YBT48HMK
Other Registry Number
- 40617-58-1
System Generated Number
- 0000589822
Structure Descriptors
InChI
1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3InChIKey
RZKSECIXORKHQS-UHFFFAOYSA-NSmiles
C([C@@H](CC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 4360uL/kg (4.36mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| rat | LD50 | oral | 1870mg/kg (1870mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | 2.24 | (none) | EXP | |
| Water Solubility | 4000 | mg/L | 25 | EXP |
| Vapor Pressure | 0.74 | mm Hg | 22 | EXP |
| Henry's Law Constant | 2.83E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.59E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.