Name: Methallyl alcohol
SKU: 513-42-8

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Pharmaceutical (18)
Organic Chemicals (15)
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Materials (1)

Basic Information

Molecular Structure:
CAS No.:	513-42-8
Name:	Methallyl alcohol
Article Data:	95

Formula:	C₄H₈O
Molecular Weight:	72.1069
Synonyms:	2-Methallylalcohol;2-Methyl-2-propen-1-ol;2-Methyl-2-propenol;2-Methyl-3-hydroxy-1-propene;2-Methylallyl alcohol;2-Methylprop-1-en-3-ol;3-Hydroxy-2-methylpropene;Isopropenyl carbinol;Methallylalcohol;NSC 30674;NSC 404204;b-Methallyl alcohol;b-Methylallyl alcohol;
EINECS:	208-161-0
Density:	0.829 g/cm³
Melting Point:	-50 °C
Boiling Point:	116.3 °C at 760 mmHg
Flash Point:	34.7 °C
Solubility:	11 g/100 mL in water
Appearance:	clear colourless liquid
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	26-36-37/39-16
Transport Information:	UN 2614 3/PG 3
PSA:	20.23000
LogP:	0.55480

Synthetic route

: 563-47-3
3-Chloro-2-methylpropene

: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With sodium hydrogencarbonate; acrylonitrile; hydroquinone In water at 40 - 67℃; for 5.5h; Reagent/catalyst; Temperature;	99.05%
With t-butylnitrite; water; sodium hydrogencarbonate; acrylonitrile at 45 - 67℃; for 3h; Catalytic behavior; Reagent/catalyst;	99.05%
With 5,5-Dimethyl-1-pyrroline N-oxide; phenyl tert-butylmethyldimethoxysilane; water; sodium acetate; sodium carbonate; acetonitrile at 45 - 67℃; for 2.5h; Catalytic behavior; Reagent/catalyst;	99.02%

: 78-85-3
2-methylpropenal

: 108-93-0
cyclohexanol

A: 108-94-1
cyclohexanone

B: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With TEMPOL; SnO2#Nb2O5 at 90℃; under 3000.3 Torr; for 10h; Inert atmosphere;	A 95.33% B n/a

...Expand

: 820-57-5
methallyl formate

A: 77287-34-4, 77287-35-5, 60100-09-6
formamide

B: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With aluminum oxide; ammonia at 0 - 5℃; Gas phase; Large scale;	A 850 g B 95%

: 78-85-3
2-methylpropenal

: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With hydrogen In water at 70℃; under 11251.1 Torr; for 1.5h; Temperature; Reagent/catalyst; Pressure;	94%
With hydrogen In water at 70℃; under 3000.3 Torr; Temperature; Reagent/catalyst; Pressure;	89%
With sodium tetrahydroborate; pyrographite In tetrahydrofuran; water at 20℃; for 0.0166667h;	85%

: 127-09-3
sodium acetate

: 563-47-3
3-Chloro-2-methylpropene

A: 820-71-3
methallyl acetate

B: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With sodium D-gluconate; copper(II) sulfate In water for 4h; Reagent/catalyst; Reflux;	A 92% B 5.5%

...Expand

: 558-30-5
2-methyl-1,2-epoxypropane

A: 78-84-2
isobutyraldehyde

B: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
lithium phosphate at 210℃; for 3h; Kinetics; Thermodynamic data; 110 - 180 degC , ΔG, ΔH, E(activ.);	A 5.79% B 85.1%
With hydrogen; lithium phosphate at 210℃; for 3h;	A 5.79% B 85.1%
With 3-chlorobenzoate; methanesulfonic acid In dichloromethane-d2 at 26.5℃; Product distribution; various conc. of methanesulfonic acid in the presence and absence of 3-chlorobenzoic acid;	A 10% B 20%
With 3-chlorobenzoate; methanesulfonic acid In dichloromethane-d2 at 26.5℃;	A 10% B 20%

: 80-62-6
methacrylic acid methyl ester

: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at -30℃; for 4h; Reduction;	83%
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 1h;	72%

: (+/-)-2-Methyl-2,3-oxiranemethanol acetate

: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With tellurium; lithium triethylborohydride In tetrahydrofuran for 0.166667h; Ambient temperature;	70%

: 67-56-1
methanol

: 71-23-8
propan-1-ol

: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With ZnO/MgZrOx mixed oxide with 4.3 Mg/Zr atomic ratio on MgO nanaosheet at 275℃; Inert atmosphere;	17%

: 54004-34-1
2,5-dimethyl-3,4-dihydro-2H-pyran-2-methanol

: 513-42-8
3-hydroxy-2-methyl-1-propene

Conditions

Conditions	Yield
With aluminum oxide at 500℃;

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Chemistry

The Molecular formula of ISOPROPENYL CARBINOL(513-42-8): C₄H₈O
The Molecular Weight of ISOPROPENYL CARBINOL(513-42-8): 72.11
Molecular Structure :

EINECS: 208-161-0
Melting point: -50 °C
Boiling Point: 116.3 °C at 760 mmHg
Flash Point: 34.7 °C
Index of Refraction: 1.412
Molar Refractivity: 21.68 cm³
Molar Volume: 86.9 cm³
Polarizability: 8.59 10^-24 cm³
Surface Tension: 24.3 dyne/cm
Density: 0.829 g/cm³
Enthalpy of Vaporization: 41.34 kJ/mol
Vapour Pressure: 9.15 mmHg at 25°C
storage temp.: Flammables area
Water Solubility: 11 g/100 mL
refractive index: n20/D 1.426(lit.)
IUPAC Name: 2-methylprop-2-en-1-ol
Synonyms: 2-methyl-2-propen-1-o;3-Hydroxy-2-methylpropene;METHALLYL ALCOHOL;ISOPROPENYLCARBINOL;beta-methylallylalcohol;CH2=C(CH3)CH2OH;methacrylalcohol;

Uses

ISOPHTHALOYL CHLORIDE(99-63-8) Used as a pesticide, medicine, polymer intermediates.

Toxicity Data With Reference

1.	skn-rbt 500 mg MOD	SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
2.	orl-mus LDLo:500 mg/kg	SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
3.	ihl-mus LCLo:2924 ppm/2H	SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
4.	skn-rbt LDLo:2000 mg/kg	SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and skin contact. Mildly toxic by inhalation. A skin irritant. Flammable when exposed to heat or flame. When heated to decomposition it emits acrid smoke and fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S. and ALLYL COMPOUNDS.
The Hazard Codes of ISOPROPENYL CARBINOL(513-42-8):

Xi
HazardClass 3.2
The Risk Statements information of ISOPROPENYL CARBINOL(513-42-8):
10: Flammable
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of ISOPROPENYL CARBINOL(513-42-8):
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
RIDADR: UN 2614 3/PG 3
WGK Germany: 3
RTECS: UD5250000
PackingGroup: III

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

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Chemistry

Uses

Toxicity Data With Reference

Consensus Reports

Safety Profile

Standards and Recommendations