Basic information
- Name:
2,4-Dimethyl-3-pentanol
- CAS No.:
600-36-2
- Molecular Structure:
- Formula:
- C7H16O
- Molecular Weight:
- 116.20
- Synonyms:
- 2,4-Dimethyl-3-hydroxypentane;3-Pentanol,2,4-dimethyl-;2,4-Dimethyl-3-pentyl alcohol;Diisopropylcarbinol;Diisopropylmethanol;Diisopropylmethyl alcohol;NSC 8696;
- EINECS:
- 209-993-7
- Density:
- 0.814 g/cm3
- Melting Point:
- -70 °C
- Boiling Point:
- 138.7 °C at 760 mmHg
- Flash Point:
- 37.2 °C
- Appearance:
- clear colorless liquid
- Hazard Symbols:
Xn- Risk Codes:
- 10-22-37/38-41
- Safety Description:
- 16-26-39 Details
- Transport Information:
- UN 1987
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Chemistry
Molecule structure of 2,4-Dimethyl-3-pentanol (CAS NO.600-36-2):
IUPAC Name: 2,4-Dimethylpentan-3-ol
Molecular Weight: 116.20134 g/mol
Molecular Formula: C7H16O
Melting Point: -70 °C
Index of Refraction: 1.416
Molar Refractivity: 35.88 cm3
Molar Volume: 142.7 cm3
Surface Tension: 25.1 dyne/cm
Density: 0.814 g/cm3
Flash Point: 37.2 °C
Enthalpy of Vaporization: 43.81 kJ/mol
Boiling Point: 138.7 °C at 760 mmHg
Vapour Pressure: 2.78 mmHg at 25 °C
Water Solubility: 32.4 g/L (20 °C)
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 116.120115
MonoIsotopic Mass: 116.120115
Topological Polar Surface Area: 20.2
Heavy Atom Count: 8
Canonical SMILES: CC(C)C(C(C)C)O
InChI: InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
InChIKey: BAYAKMPRFGNNFW-UHFFFAOYSA-N
EINECS: 209-993-7
Product Categories of 2,4-Dimethyl-3-pentanol (CAS NO.600-36-2): Industrial/Fine Chemicals
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 10-22-37/38-41
R10:Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 16-26-39
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
RTECS: SA6660000
HazardClass: 3
PackingGroup: III
Specification
2,4-Dimethyl-3-pentanol (CAS NO.600-36-2) is also named as 2,4-Dimethyl-3-hydroxypentane ; Diisopropylcarbinol ; Diisopropylmethanol ; NSC 8696 ; 2,4-Dimethylpentan-3-ol ; 3-Pentanol, 2,4-dimethyl- . 2,4-Dimethyl-3-pentanol (CAS NO.600-36-2) is clear colorless liquid.
