ChemicalBook--->CAS DataBase List--->77-74-7

77-74-7

77-74-7 Structure

77-74-7 Structure
IdentificationMore
[Name]

3-Methyl-3-pentanol
[CAS]

77-74-7
[Synonyms]

3-HYDROXY-3-METHYLPENTANE
3-METHYL-3-PENTANOL
3-METHYLPENTAN-3-OL
DIETHYL METHYL CARBINOL
METHYLDIETHYLCARBINOL
3-methyl-3-pentano
3-Methyl-pentanol-(3)
3-Pentanol,3-methyl-
Diethylmetylcarbinol
Methyl-3 pentanol-3
Methyldiaethylcarbinol
tert-hexyl alcohol
3-METHYL-3-PENTANOL 99+%
3-METHYL-3-PENTANOL OVER WATER
3-HYDROXY-3-METHYLPENTANE 99%
3-METHYL-3-PENTANOL 98+%
2-Ethyl-2-butanol
tert-Isohexyl alcohol
[EINECS(EC#)]

201-053-4
[Molecular Formula]

C6H14O
[MDL Number]

MFCD00004483
[Molecular Weight]

102.17
[MOL File]

77-74-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-38 °C (lit.)
[alpha ]

22 º (c=8,6N HCl)
[Boiling point ]

123 °C (lit.)
[density ]

0.824 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.418(lit.)
[Fp ]

115 °F
[form ]

clear liquid
[pka]

15.38±0.29(Predicted)
[color ]

Colorless to Almost colorless
[Odor]

at 1.00 % in dipropylene glycol. powerful fruity green leafy
[Odor Type]

green
[Water Solubility ]

slightly
[Specific Heat Capacity]

Cp(liquid):293.4J/(g·K),at 25℃
[Decomposition ]

176-178 ºC
[BRN ]

1731456
[Henry's Law Constant]

2.4×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
[InChI]

1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
[InChIKey]

FRDAATYAJDYRNW-UHFFFAOYSA-N
[SMILES]

CCC(C)(O)CC
[LogP]

1.603 (est)
[CAS DataBase Reference]

77-74-7(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Pentanol, 3-methyl-(77-74-7)
[EPA Substance Registry System]

77-74-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

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

Warning
[Hazard statements ]

H226-H302
[Precautionary statements ]

P210-P233-P240-P241-P242-P301+P312
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[RTECS ]

SA7450000
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29051990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methyl-3-pentanol(77-74-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

3-Methyl-d3-3-pentanol-2,2,4,4-d4 is the labeled form of 3-Methyl-3-pentanol(M240950), is used in preparation of fluorine-containing heat transfer fluid.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 93, p. 1025, 1971 DOI: 10.1021/ja00733a041
Synthesis, p. 699, 1972 DOI: 10.1055/s-1972-21975
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyl-3-pentanol(77-74-7)MS
3-Methyl-3-pentanol(77-74-7)1HNMR
3-Methyl-3-pentanol(77-74-7)13CNMR
3-Methyl-3-pentanol(77-74-7)IR1
3-Methyl-3-pentanol(77-74-7)IR2
3-Methyl-3-pentanol(77-74-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

77-74-7(sigmaaldrich)
[TCI AMERICA]

3-Methyl-3-pentanol,>98.0%(GC)(77-74-7)
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