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Substance Name: 3-Pentanol
RN: 584-02-1
UNII: X4ELC182I5
InChIKey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C5-H12-O
Molecular Weight
- 88.1488
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3-Pentanol
Synonyms
- 3-Pentyl alcohol
- 4-01-00-01662 (Beilstein Handbook Reference)
- AI3-24335
- BRN 1730964
- Diethyl carbinol
- EINECS 209-526-7
- Isoamyl alcohol
- NSC 8654
- Pentanol-3
- sec-Amyl alcohol
- sec-Pentanol
- sec-Pentyl alcohol
- UNII-X4ELC182I5
Systematic Name
- 3-Pentanol
Superlist Names
- 3-Pentanol
- Diethyl carbinol
- Isoamyl alcohol (primary/secondary)
- sec-Amyl alcohol
Registry Numbers
CAS Registry Number
- 584-02-1
FDA UNII
- X4ELC182I5
System Generated Number
- 0000584021
Structure Descriptors
InChI
1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3InChIKey
AQIXEPGDORPWBJ-UHFFFAOYSA-NSmiles
C(CC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 2520uL/kg (2.52mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | oral | 1870mg/kg (1870mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LDLo | intraperitoneal | 1950mg/kg (1950mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -6.90E+01 | deg C | EXP | |
| Boiling Point | 116.2 | deg C | EXP | |
| log P (octanol-water) | 1.21 | (none) | EXP | |
| Water Solubility | 5.15E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 8.77 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.98E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.22E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.