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Substance Name: 2-Ethyl-1-hexanol
RN: 104-76-7
UNII: XZV7TAA77P
InChIKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Reproductive Effect
- Skin / Eye Irritant
- TSCA Flag TP (Subject to the Proposed TSCA Section 4 Test Rule)
Molecular Formula
- C8-H18-O
Molecular Weight
- 130.2292
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2-Ethyl-1-hexanol
- 2-Ethylhexanol
Synonyms
- 1-Hexanol, 2-ethyl-
- 2-Aethylhexanol
- 2-Aethylhexanol [German]
- 2-Ethyl-1-hexanol
- 2-Ethylhexanol
- 2-Ethylhexyl alcohol
- 4-01-00-01783 (Beilstein Handbook Reference)
- AI3-00940
- Alcohol, 2-ethylhexyl
- BRN 1719280
- CCRIS 2292
- EC 203-234-3
- EINECS 203-234-3
- Ethylhexanol
- FEMA No. 3151
- HSDB 1118
- NSC 9300
- Octyl alcohol
- UNII-XZV7TAA77P
Systematic Names
- 1-Hexanol, 2-ethyl-
- 2-Ethylhexan-1-ol
Superlist Names
- 1-Hexanol, 2-ethyl-
- 2-Ethyl-1-hexanol
- 2-Ethylhexanol
- 2-Ethylhexyl alcohol
- Ethylhexanol, 2-
Registry Numbers
CAS Registry Number
- 104-76-7
FDA UNII
- XZV7TAA77P
Other Registry Number
- 111675-57-1
Related Registry Number
- 1070-10-6 (titanium(4+) salt)
System Generated Number
- 0000104767
Structure Descriptors
InChI
1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3InChIKey
YIWUKEYIRIRTPP-UHFFFAOYSA-NSmiles
CCCCC(CC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 1860mg/kg (1860mg/kg) | Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974. | |
| mouse | LD50 | intraperitoneal | 759mg/kg (759mg/kg) | Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974. | |
| mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974. | |
| mouse | LD50 | parenteral | 1670mg/kg (1670mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 775, 1979. | |
| rabbit | LD50 | oral | 1180mg/kg (1180mg/kg) | Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974. | |
| rabbit | LD50 | skin | 1970mg/kg (1970mg/kg) | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 61, 1974. | |
| rat | LC | inhalation | > 2000ppm/6H (2000ppm) | Kodak Company Reports. Vol. 21MAY1971, | |
| rat | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | Hydrometallurgy. Vol. 3, Pg. 201, 1978. | |
| rat | LD50 | oral | 3730mg/kg (3730mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973. |
| rat | LD50 | parenteral | 4600mg/kg (4600mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 775, 1979. | |
| rat | LD50 | skin | > 3gm/kg (3000mg/kg) | National Technical Information Service. Vol. OTS0524344, | |
| rat | LD50 | subcutaneous | 650mg/kg (650mg/kg) | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 61, 1974. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -7.00E+01 | deg C | EXP | |
| Boiling Point | 184.6 | deg C | EXP | |
| log P (octanol-water) | 2.730 | (none) | EST | |
| Water Solubility | 880 | mg/L | 25 | EXP |
| Vapor Pressure | 0.136 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.65E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.32E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.