ChemicalBook--->CAS DataBase List--->115-18-4

115-18-4

115-18-4 Structure

115-18-4 Structure
IdentificationMore
[Name]

2-Methyl-3-buten-2-ol
[CAS]

115-18-4
[Synonyms]

1,1-DIMETHYLALLYL ALCOHOL
2-HYDROXY-2-METHYL-3-BUTENE
2-METHYL-3-BUTEN-2-OL
2-METHYL-3-BUTENE-2-OL
3-HYDROXY-3-METHYL-1-BUTENE
3-METHYL-1-BUTEN-3-OL
DIMETHYL VINYL CARBINOL
METHYL-3-BUTEN-2-OL, 2-
1,1-Dimethyl-2-propenol
1-Buten-3-ol, 3-methyl-
2-methyl but-3-ene-2-ol
2-methylbut-
2-methylbut-3-en
2-Methylbut-3-en-2-ol
3-Methyl-1-butene-3-ol
3-Methyl-buten-(1)-ol-(3)
alpha,alpha-Dimethylallyl alcohol
CH2=CHC(CH3)2OH
Dimethylvinylmethanol
Methylbutenol
[EINECS(EC#)]

204-068-4
[Molecular Formula]

C5H10O
[MDL Number]

MFCD00004470
[Molecular Weight]

86.13
[MOL File]

115-18-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to very slightly yellow liquid
[Melting point ]

-43 °C
[Boiling point ]

98-99 °C (lit.)
[density ]

0.824 g/mL at 25 °C(lit.)
[vapor pressure ]

51 mm Hg ( 25 °C)
[refractive index ]

n20/D 1.416(lit.)
[Fp ]

56 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[pka]

14.56±0.29(Predicted)
[color ]

Clear colorless to very slightly yellow
[Odor]

at 10.00 % in dipropylene glycol. herbal earthy oily
[PH]

9-10 (100g/l, H2O, 20℃)
[biological source]

synthetic
[explosive limit]

1.5-9.4%(V)
[Odor Type]

herbal
[BRN ]

1698263
[Henry's Law Constant]

6.4×10-1 mol/(m3Pa) at 25℃, Iraci et al. (1999)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
[InChIKey]

HNVRRHSXBLFLIG-UHFFFAOYSA-N
[SMILES]

CC(C)(O)C=C
[LogP]

0.66 at 25℃
[CAS DataBase Reference]

115-18-4(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Buten-2-ol, 2-methyl-(115-18-4)
[EPA Substance Registry System]

115-18-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302-H315-H319
[Precautionary statements ]

P210-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

F,Xn,F++
[Risk Statements ]

R11:Highly Flammable.
R22:Harmful if swallowed.
R36:Irritating to the eyes.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1987 3/PG 2
[WGK Germany ]

1
[RTECS ]

EM9472000
[Autoignition Temperature]

380 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29052990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
[Toxicity]

LD50 orally in Rabbit: 1800 mg/kg
Hazard InformationBack Directory
[General Description]

Colorless liquid.
[Reactivity Profile]

An unsaturated aliphatic/alcohol. The unsaturated aliphatic hydrocarbons are generally much more reactive than the alkanes, which are saturated aliphatic hydrocarbons. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
[Air & Water Reactions]

Slightly soluble in water.
[Health Hazard]

Harmful if inhaled or swallowed. Material is irritating to mucous membrane and upper respiratory tract.
[Fire Hazard]

Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back.
[Chemical Properties]

clear colourless to very slightly yellow liquid
[Uses]

2-Methyl-3-buten-2-ol may be used as an analytical reference standard for the determination of the analyte in Humulus Lupulus L. (Hop) and pine-mushroom extracts by chromatography techniques.
[Uses]

2-Methyl-3-buten-2-ol was used to study the kinetics of the gas-phase reaction of OH radicals with 3-methyl-2-butenal.
[Application]

This unsaturated alcohol has found a little use in perfume compositions, mainly in the reconstruction of Lavender and Lavandin oils, etc.
It is occasionally used as a powerful additive in soap and detergent perfumes, but it needs skilful blending and firm fixation in order to control its odor to an acceptable level.
[Definition]

ChEBI: 3-hydroxy-3-methylbut-1-ene is a tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. It has a role as a fragrance, a pheromone, a plant metabolite and an animal metabolite. It is a tertiary alcohol and an olefinic compound. It derives from a hydride of a 3-methylbut-1-ene.
[Production Methods]

2-Methyl-3-buten-2-ol can be produced from Vinyl magnesium bromide and Acetone by Grignard reaction.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methyl-3-buten-2-ol(115-18-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methyl-3-buten-2-ol(115-18-4)MS
2-Methyl-3-buten-2-ol(115-18-4)1HNMR
2-Methyl-3-buten-2-ol(115-18-4)13CNMR
2-Methyl-3-buten-2-ol(115-18-4)IR1
2-Methyl-3-buten-2-ol(115-18-4)IR2
2-Methyl-3-buten-2-ol(115-18-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methyl-3-buten-2-ol, 97%(115-18-4)
[Alfa Aesar]

2-Methyl-3-buten-2-ol, 98%(115-18-4)
[Sigma Aldrich]

115-18-4(sigmaaldrich)
[TCI AMERICA]

2-Methyl-3-buten-2-ol,>98.0%(GC)(115-18-4)
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