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105-30-6

Basic Information
CAS No.: 105-30-6
Name: 2-METHYL-1-PENTANOL
Article Data: 149
Molecular Structure:
Molecular Structure of 105-30-6 (2-METHYL-1-PENTANOL)
Formula: C6H14O
Molecular Weight: 102.177
Synonyms: 2-MPOH;2-Methyl-1-pentanol;2-Methylpentanol-1;NSC 6250;
EINECS: 203-285-1
Density: 0.814 g/cm3
Melting Point: -48.42°C (estimate)
Boiling Point: 151.599 °C at 760 mmHg
Flash Point: 51.667 °C
Solubility: 5.96g/L(25 oC)
Appearance: clear colourless liquid
Hazard Symbols: HarmfulXn
Risk Codes: 10-22
Safety: 24/25
Transport Information: UN 1987 3/PG 3
PSA: 20.23000
LogP: 1.41490
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Chemistry

IUPAC Name: 2-Methylpentan-1-ol
Synonyms of Amyl methyl alcohol (CAS NO.105-30-6): Amyl methyl alcohol ; 2-Methyl-n-amyl alcohol ; 2-Methyl-1-penmnol ; 2-Methyl-1-pentanol ; 2-Propylpropanol ; (±)-2-Methyl-pentan-1-ol ; 1-Pentanol, 2-methyl- ; 2-Methyl-1-pentano
Product Categories: Alcohols;C2 to C6;Oxygen Compounds
Molecular Structure:
Molecular Formula: C6H14O
Molecular Weight: 102.17
CAS NO: 105-30-6
EINECS : 203-285-1
Mol File: 105-30-6.mol 
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.413
Molar Refractivity: 31.33 cm3
Molar Volume: 125.4 cm3
Surface Tension: 26.6 dyne/cm
Density: 0.814 g/cm3
Flash Point: 50.6 °C
Enthalpy of Vaporization: 44.84 kJ/mol
Boiling Point: 148 °C at 760 mmHg
Vapour Pressure: 1.67 mmHg at 25°C
Appearance: Amyl methyl alcohol (CAS NO.105-30-6) is clear colourless liquid.
SMILES: OCC(C)CCC
InChI: InChI=1/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
InChIKey: PFNHSEQQEPMLNI-UHFFFAOYAK
Std. InChI: InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
Std. InChIKey: PFNHSEQQEPMLNI-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 50ppm (50ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
mouse LD50 oral > 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rabbit LD50 skin 3560uL/kg (3.56mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC inhalation > 5000ppm/6H (5000ppm)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 oral 1410mg/kg (1410mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and skin contact. A skin and severe eye irritant. Human systemic irritant by inhalation. A flammable liquid; can react with oxidizing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits smoke and acrid fumes 
Hazard Codes: HarmfulXn
Risk Statements: 10-22
R10: Amyl methyl alcohol (CAS NO.105-30-6) is flammable. 
R22: Harmful if swallowed.
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
RTECS: SA7175000
HazardClass: 3.2
PackingGroup: III

Analytical Methods

For occupational chemical analysis use NIOSH: Alcohols III, 1402.