Isobutanol

Isobutanol (2-Methyl-propan-1-ol)
Names
	Preferred IUPAC name 2-Methylpropan-1-ol
	Other names Isobutyl alcohol; IBA; 2-Methyl-1-propanol; 2-Methylpropyl alcohol; Isopropylcarbinol
Identifiers
CAS Number	78-83-1 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1730878
ChEBI	CHEBI:46645 ;
ChEMBL	ChEMBL269630 ;
ChemSpider	6312 ;
ECHA InfoCard	100.001.044
EC Number	201-148-0;
Gmelin Reference	49282
KEGG	C14710 ;
PubChem CID	6560;
RTECS number	NP9625000;
UNII	56F9Z98TEM ;
UN number	1212
CompTox Dashboard (EPA)	DTXSID0021759 ;
	InChI InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N ; InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3;
	SMILES CC(C)CO;
Properties
Chemical formula	C4H10O
Molar mass	74.122 g/mol
Appearance	Colorless liquid
Odor	sweet, musty
Density	0.802 g/cm3, liquid
Melting point	−108 °C (−162 °F; 165 K)
Boiling point	107.89 °C (226.20 °F; 381.04 K)
Solubility in water	8.7 mL/100 mL
log P	0.8
Vapor pressure	9 mmHg (20°C)
Refractive index (nD)	1.3959
Viscosity	3.95 cP at 20 °C
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H226, H315, H318, H335, H336
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
NFPA 704 (fire diamond)	1 3 0
Flash point	28 °C (82 °F; 301 K)
Autoignition; temperature	415 °C (779 °F; 688 K)
Explosive limits	1.7–10.9%
	Lethal dose or concentration (LD, LC):
LDLo (lowest published)	3750 mg/kg (rabbit, oral); 2460 mg/kg (rat, oral)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 100 ppm (300 mg/m3)
REL (Recommended)	TWA 50 ppm (150 mg/m3)
IDLH (Immediate danger)	1600 ppm
Safety data sheet (SDS)	ICSC 0113
Related compounds
Related butanols	1-Butanol; sec-Butanol; tert-Butanol
Related compounds	Isobutyraldehyde; Isobutyric acid
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Isobutanol (IUPAC nomenclature: 2-methylpropan-1-ol) is an organic compound with the formula (CH₃)₂CHCH₂OH (sometimes represented as i-BuOH). This colorless, flammable liquid with a characteristic smell is mainly used as a solvent either directly or as its esters. Its isomers are 1-butanol, 2-butanol, and tert-butanol, all of which are important industrially.^[5]

^ ^a ^b ^c ^d ^e NIOSH Pocket Guide to Chemical Hazards. "#0352". National Institute for Occupational Safety and Health (NIOSH).
^ "Iso-butanol". ChemicalLand21.
^ ^a ^b Isobutanol, International Chemical Safety Card 0113, Geneva: International Programme on Chemical Safety, April 2005.
^ "Isobutyl alcohol". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
^ Cite error: The named reference Ullmann was invoked but never defined (see the help page).

[PGCH-1] NIOSH Pocket Guide to Chemical Hazards. "#0352". National Institute for Occupational Safety and Health (NIOSH).

[2] "Iso-butanol". ChemicalLand21.

[ICSC-3] Isobutanol, International Chemical Safety Card 0113, Geneva: International Programme on Chemical Safety, April 2005.

[4] "Isobutyl alcohol". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[Ullmann-5] Cite error: The named reference Ullmann was invoked but never defined (see the help page).

[3]

[1]

[2]

[4]

[5]

Names



Preferred IUPAC name 2-Methylpropan-1-ol
Other names Isobutyl alcohol IBA 2-Methyl-1-propanol 2-Methylpropyl alcohol Isopropylcarbinol
Identifiers
CAS Number	78-83-1^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1730878
ChEBI	CHEBI:46645^Y
ChEMBL	ChEMBL269630^Y
ChemSpider	6312^Y
ECHA InfoCard	100.001.044
EC Number	201-148-0
Gmelin Reference	49282
KEGG	C14710^Y
PubChem CID	6560
RTECS number	NP9625000
UNII	56F9Z98TEM^Y
UN number	1212
CompTox Dashboard (EPA)	DTXSID0021759
InChI InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3^Y Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N^Y InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
SMILES CC(C)CO
Properties^[3]
Chemical formula	C₄H₁₀O
Molar mass	74.122 g/mol
Appearance	Colorless liquid
Odor	sweet, musty^[1]
Density	0.802 g/cm³, liquid
Melting point	−108 °C (−162 °F; 165 K)
Boiling point	107.89 °C (226.20 °F; 381.04 K)
Solubility in water	8.7 mL/100 mL^[2]
log P	0.8
Vapor pressure	9 mmHg (20°C)^[1]
Refractive index (n_D)	1.3959
Viscosity	3.95 cP at 20 °C
Hazards^[3]
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H226, H315, H318, H335, H336
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
NFPA 704 (fire diamond)	1 3 0
Flash point	28 °C (82 °F; 301 K)
Autoignition temperature	415 °C (779 °F; 688 K)
Explosive limits	1.7–10.9%
Lethal dose or concentration (LD, LC):
LD_Lo (lowest published)	3750 mg/kg (rabbit, oral) 2460 mg/kg (rat, oral)^[4]
NIOSH (US health exposure limits):
PEL (Permissible)	TWA 100 ppm (300 mg/m³)^[1]
REL (Recommended)	TWA 50 ppm (150 mg/m³)^[1]
IDLH (Immediate danger)	1600 ppm^[1]
Safety data sheet (SDS)	ICSC 0113
Related compounds
Related butanols	1-Butanol sec-Butanol tert-Butanol
Related compounds	Isobutyraldehyde Isobutyric acid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references