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30899-19-5

30899-19-5 structural image
Product Name: ISOAMYL ALCOHOL
Formula: C5H12O
Synonyms: 3-Methyl-1-butanol;Isoamyl alcohol;Isopentyl alcohol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description N-pentanol appears as a colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91 °F. Boiling point 280 °F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals.
Color/Form Colorless liquid
Odor CHARACTERISTIC FUSEL-LIKE ODOR
Taste BURNING TASTE
Boiling Point 280 °F at 760 mmHg (NTP, 1992)
Melting Point -110 °F (NTP, 1992)
Flash Point 91 °F (NTP, 1992)
Solubility 10 to 50 mg/mL at 63 °F (NTP, 1992)
Density 0.818 at 59 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 3.04 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1 mmHg at 56.5 °F ; 2.8 mmHg at 68 °F (NTP, 1992)
LogP low Kow= 1.51
Henry's Law Constant Henry's Law constant = 1.3X10-5 atm-cu m/mol at 25 °C
Autoignition Temperature 680 °F (USCG, 1999)
Viscosity 5 mm²/s at 20 °C
Heat of Combustion -16,200 Btu/lb= -9,000 Cal/g
Heat of Vaporization 44.83 kJ/mol
Surface Tension 25.5 dynes/cm at 20 °C
Odor Threshold Odor Threshold Low: 0.12 [mmHg] Odor Threshold High: 20.03 [mmHg] [Merck Index] Odor threshold low = 0.4332 mg/m3
Refractive Index Index of refraction: 1.4103 at 20 °C/D
Kovats Retention Index 744.1 735 735 753 754 754 759 749 748.3 752 751.9 751.9 760 753 767 767 767 746 756 770 763 762 757.9 762.3 766.5 771.9 775.5 791.4 793.1 757.18 752.2 752.7 753.5 754.6 761.5 763.4 766 752.2 752.7 753.5 754.6 761.5 763.4 766 758 763 730.2 734.7 748 754 768 747 750 760 749 754 789 773 774 752 755 759 764 742 746 747 751 752 754 744 747 749 749 744 751 750 744 744 745 747 767 751 742 740 751 744 747 756 750 752.8 748 747 757 787 757 744 750 759 739.8 723 752 753 729.5 747 752 760 752 758 758 740 753 763 756 744 744 744 740 742 742 743 744 744 744 746 761 756 764 754 746 747 767 746 756 766 756 754 772 762 801 753.4
Other Experimental Properties Ratio of specific heats of vapor (gas) = 1.06; Liquid water interfacial tension: 5 dynes/cm = 0.005 N/m at 20 °C
Chemical Classes Solvents -> Alcohols (<C12)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.

COMPUTED DESCRIPTORS

Molecular Weight 88.15 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 88.088815002 g/mol
Monoisotopic Mass 88.088815002 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 19.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N-pentanol appears as a colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91 °F. Boiling point 280 °F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals.