ChemicalBook--->CAS DataBase List--->598-75-4

598-75-4

598-75-4 Structure

598-75-4 Structure
IdentificationMore
[Name]

3-METHYL-2-BUTANOL
[CAS]

598-75-4
[Synonyms]

2-HYDROXY-3-METHYLBUTANE
2-METHYL-3-BUTANOL
(+/-)-3-METHYL-2-BUTANOL
3-METHYL-2-BUTANOL
DL-3-METHYL-2-BUTANOL
FEMA 3703
ISOPROPYLMETHYLCARBINOL
METHYL-ISO-PROPYLCARBINOL
SEC-ISOAMYL ALCOHOL
(±)-3-methyl-butan-2-ol
(CH3)2CHCH(OH)CH3
(R,S)-3-Methyl-butan-2-ol
2-Butanol,3-methyl-
3-Methyl butan-2-ol
3-methyl-2-butano
3-methyl-butan-2-ol
3-methylbutan-2-ol
alcool3-methyl-2-butylique
Butan-2-ol, 3-methyl-
dl-sec-iso-Amylalcohol
[EINECS(EC#)]

209-950-2
[Molecular Formula]

C5H12O
[MDL Number]

MFCD00004527
[Molecular Weight]

88.15
[MOL File]

598-75-4.mol
Chemical PropertiesBack Directory
[Appearance]

Amyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.
[Melting point ]

-51.44°C (estimate)
[Boiling point ]

112 °C (lit.)
[density ]

0.818 g/mL at 25 °C(lit.)
[FEMA ]

3703
[refractive index ]

n20/D 1.409(lit.)
[Fp ]

80 °F
[storage temp. ]

Flammables area
[solubility ]

56g/l
[form ]

Liquid
[pka]

15.17±0.20(Predicted)
[color ]

Clear colorless
[Odor]

fruity
[biological source]

synthetic
[explosive limit]

1.2-10.5%(V)
[Odor Type]

fruity
[Water Solubility ]

Miscible in Ether, Alcohols. Slightly soluble in water. (2.8g/100mL, 30°C)
[JECFA Number]

300
[Merck ]

14,6031
[BRN ]

1718800
[Exposure limits]

NIOSH: IDLH 500 ppm; TWA 100 ppm(360 mg/m3); STEL 125 ppm(450 mg/m3)
[InChI]

1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
[InChIKey]

MXLMTQWGSQIYOW-UHFFFAOYSA-N
[SMILES]

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

1.04
[Uses]

A flotation agent, a solvent, and in organic synthesis.
[CAS DataBase Reference]

598-75-4(CAS DataBase Reference)
[EPA Substance Registry System]

2-Butanol, 3-methyl- (598-75-4)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R20:Harmful by inhalation.
R37:Irritating to the respiratory system.
R66:Repeated exposure may cause skin dryness or cracking.
[Safety Statements ]

S46:If swallowed, seek medical advice immediately and show this container or label .
[OEB]

A
[OEL]

TWA: 100.0 ppm; 360.0 mg/m3, STEL: 125.0 ppm; 450.0 mg/m3
[RIDADR ]

UN 1105 3/PG 3
[WGK Germany ]

1
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29051490
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Flam. Liq. 3
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Bromopropane
[Preparation Products]

(S)-(+)-3-Methyl-2-butanol-->Benzenamine, N-(1,2-dimethylpropyl)-4-methyl--->2-Butanol, 3-methyl-, 2-benzoate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-methyl-2-butanol(598-75-4).msds
Hazard InformationBack Directory
[Hazard]

Moderately toxic.
[Potential Exposure]

(n-isomer); Suspected reprotoxic hazard, Primary irritant (w/o allergic reaction), (iso-, primary): Possible risk of forming tumors, Primary irritant (w/o allergic reaction), (sec-, active primary-, and other isomers) Primary irritant (w/o allergic reaction). Used as a solvent in organic synthesis and synthetic flavoring, pharmaceuticals, corrosion inhibitors; making plastics and other chemicals; as a flotation agent. The (n-isomer) is used in preparation of oil additives, plasticizers, synthetic lubricants, and as a solvent.
[First aid]

Skin contact contributes significantly to overall exposure. If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN2811 Pentanols, Hazard Class: 3; Labels: 3- Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid.
[Incompatibilities]

Forms an explosive mixture with air. Contact with strong oxidizers and hydrogen trisulfide may cause fire and explosions. Incompatible with strong acids. Violent reaction with alkaline earth metals forming hydrogen, a flammable gas.
[Chemical Properties]

3-Methyl-2-butanol has a fruity, fresh odor.
[Chemical Properties]

Amyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Definition]

ChEBI: A secondary alcohol that is 2-butanol carrying an additional methyl substituent at position 3.
[Purification Methods]

Reflux it with magnesium, then fractionally distil it. [Beilstein 1 IV 1675.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-2-BUTANOL(598-75-4)MS
3-METHYL-2-BUTANOL(598-75-4)1HNMR
3-METHYL-2-BUTANOL(598-75-4)13CNMR
3-METHYL-2-BUTANOL(598-75-4)IR1
3-METHYL-2-BUTANOL(598-75-4)IR2
3-METHYL-2-BUTANOL(598-75-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-3-Methyl-2-butanol, 98%(598-75-4)
[Alfa Aesar]

(+/-)-3-Methyl-2-butanol, 98%(598-75-4)
[Sigma Aldrich]

598-75-4(sigmaaldrich)
[TCI AMERICA]

3-Methyl-2-butanol,>95.0%(GC)(598-75-4)
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