-
Name
2.2.4-TRIMETHYL-1-PENTANOL
- EINECS 204-628-8
- CAS No. 123-44-4
- Article Data15
- CAS DataBase
- Density 0.821 g/cm3
- Solubility
- Melting Point -70°C
- Formula C8H18 O
- Boiling Point 157.9 °C at 760 mmHg
- Molecular Weight 130.23
- Flash Point 56.6 °C
- Transport Information
- Appearance
- Safety A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,2,4-Trimethyl-1-pentanol;NSC 35410
- PSA 20.23000
- LogP 2.05100
2,2,4-Trimethylpentan-1-ol Chemical Properties
Molecular Structure of 2,2,4-Trimethylpentan-1-ol (CAS NO.123-44-4):
EINECS: 204-628-8
IUPAC Name: 2,2,4-Trimethylpentan-1-ol
Molecular Formula: C8H18O
Molecular Weight: 130.227920 g/mol
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CC(C)CC(C)(C)CO
InChI: InChI=1S/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3
InChIKey: CWPPDTVYIJETDF-UHFFFAOYSA-N
Index of Refraction: 1.425
Molar Refractivity: 40.57 cm3
Molar Volume: 158.5 cm3
Surface Tension: 26.4 dyne/cm
Density: 0.821 g/cm3
Flash Point: 56.6 °C
Enthalpy of Vaporization: 45.95 kJ/mol
Boiling Point: 157.9 °C at 760 mmHg
Vapour Pressure: 0.961 mmHg at 25 °C
Water Solubility: 1716 mg/L at 25 °C
BRN of 2,2,4-Trimethylpentan-1-ol (CAS NO.123-44-4): 1697386
2,2,4-Trimethylpentan-1-ol Toxicity Data With Reference
| 1. | skn-rbt 500 mg MOD | JACTDZ Journal of the American College of Toxicology. 1 (1992),194. | ||
| 2. | eye-rbt 100 mg MOD | JACTDZ Journal of the American College of Toxicology. 1 (1992),194. |
2,2,4-Trimethylpentan-1-ol Safety Profile
A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
2,2,4-Trimethylpentan-1-ol Specification
2,2,4-Trimethylpentan-1-ol with CAS Registry Number of 123-44-4 is also called 2,2,4-Trimethyl-1-pentanol ; 2,2,4-Trimethylpentanol ; 4-01-00-01795 (Beilstein Handbook Reference) ; AI3-26041 ; NSC 35410 ; 1-Pentanol, 2,2,4-trimethyl- .
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