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597-49-9

597-49-9 Structure

597-49-9 Structure
IdentificationMore
[Name]

3-Ethyl-3-pentanol
[CAS]

597-49-9
[Synonyms]

3-ETHYL-2-PENTANOL
3-ETHYL-3-PENTANOL
TERT-HEPTANOL
TERT-HEPTYL ALCOHOL
TRIETHYLCARBINOL
TRIETHYLMETHYL ALCOHOL
3-Aethyl-pentanol-(3)
3-Ethyl-3-hydroxypentane
3-ethyl-3-pentano
3-ethyl-pentan-3-ol
3-Pentanol, 3-ethyl-
Ethyl-3 pentanol-3
Triethylmethanol
3-Ethyl-3-pentanol,97%
1,1-Diethylpropyl alcohol
3-Ethylpentane-3-ol
[EINECS(EC#)]

209-902-0
[Molecular Formula]

C7H16O
[MDL Number]

MFCD00021888
[Molecular Weight]

116.2
[MOL File]

597-49-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

-12.5 °C
[Boiling point ]

141 °C/743 mmHg (lit.)
[density ]

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

n20/D 1.430(lit.)
[Fp ]

104 °F
[storage temp. ]

Flammables area
[form ]

clear liquid
[pka]

15.38±0.29(Predicted)
[color ]

Colorless to Almost colorless
[Water Solubility ]

Slightly soluble in water. Soluble in alcohol.
[Detection Methods]

GC
[BRN ]

1731643
[InChIKey]

XKIRHOWVQWCYBT-UHFFFAOYSA-N
[LogP]

2.113 (est)
[CAS DataBase Reference]

597-49-9(CAS DataBase Reference)
[EPA Substance Registry System]

3-Pentanol, 3-ethyl- (597-49-9)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[RTECS ]

SA6780000
[TSCA ]

Yes
[HS Code ]

2905.19.9090
[HazardClass ]

3
[PackingGroup ]

III
[Toxicity]

LD50 scu-mus: 700 mg/kg ARZNAD 5,161,55
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Sulfuric acid-->Potassium carbonate-->Magnesium-->Bromoethane-->Diethyl carbonate-->3-Pentanone
[Preparation Products]

3-ETHYL-2-PENTENE-->4-(1,1-diethylpropyl)phenol
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

3-Ethyl-3-pentanol was used to study the effect of alkanols on the micropolarity and microviscosity of the head group region, in the reverse micelles of AOT-heptane-water by fluorescence probing.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 84, p. 4715, 1962 DOI: 10.1021/ja00883a020
Organic Syntheses, Coll. Vol. 2, p. 602, 1943
[Safety Profile]

Moderately toxic by subcutaneousroute. When heated to decomposition it emits acrid smokeand irritating vapors.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Ethyl-3-pentanol(597-49-9)MS
3-Ethyl-3-pentanol(597-49-9)1HNMR
3-Ethyl-3-pentanol(597-49-9)13CNMR
3-Ethyl-3-pentanol(597-49-9)IR1
3-Ethyl-3-pentanol(597-49-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Ethyl-3-pentanol, 97%(597-49-9)
[Sigma Aldrich]

597-49-9(sigmaaldrich)
[TCI AMERICA]

3-Ethyl-3-pentanol,>99.0%(GC)(597-49-9)
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