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1540-29-0

1540-29-0 Structure

1540-29-0 Structure
IdentificationMore
[Name]

Ethyl 2-acetylhexanoate
[CAS]

1540-29-0
[Synonyms]

2-ACETYL-N-CAPROIC ACID ETHYL ESTER
2-ACETYL-N-HEXANOIC ACID ETHYL ESTER
2-N-BUTYLACETOACETIC ACID ETHYL ESTER
ETHYL 2-ACETYLHEXANOATE
ETHYL 2-ACETYL-N-CAPROATE
ETHYL 2-ACETYL-N-HEXANOATE
ETHYL 2-BUTYLACETOACETATE
ETHYL 2-N-BUTYLACETOACETATE
ETHYL-N-BUTYLACETOACETATE
2-acetylcaproic acid ethyl ester
2-acetylhexanoic acid ethyl ester
2-butylacetoacetic acid ethyl ester
ethyl 2-acetylcaproate
Ethyl .alpha.-butylacetoacetate
Hexanoic acid, 2-acetyl-, ethyl ester
2-N-BUTYLACETOACETIC ACID ETHYL ESTER (ALPHA-) 95+%
2-Butyl-3-oxobutanoic acid ethyl ester
2-Butyl-3-oxobutyric acid ethyl ester
[EINECS(EC#)]

216-271-5
[Molecular Formula]

C10H18O3
[MDL Number]

MFCD00026888
[Molecular Weight]

186.25
[MOL File]

1540-29-0.mol
Chemical PropertiesBack Directory
[Boiling point ]

65°C 1mm
[density ]

0,95 g/cm3
[FEMA ]

4452 | ETHYL 2-ACETYLHEXANOATE
[refractive index ]

1.4320
[Fp ]

65°C/1mm
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Oil
[pka]

12.32±0.46(Predicted)
[color ]

Colourless to Pale Yellow
[Odor]

at 100.00 %. fruity winey
[Odor Type]

winey
[JECFA Number]

1953
[BRN ]

636718
[InChI]

1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3
[InChIKey]

ZTOQBHVLCJERBS-UHFFFAOYSA-N
[SMILES]

CCCCC(C(C)=O)C(=O)OCC
[LogP]

2.66
[CAS DataBase Reference]

1540-29-0(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

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

WGK 3
[HS Code ]

29153900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->1-Bromobutane-->1-Hexyne, 1-ethoxy--->Ethyl acetoacetate-->2-Hexanone-->1-Iodobutane
[Preparation Products]

DIMETHIRIMOL-->Heptanoic acid, 2-methyl-3-oxo-, ethyl ester-->2-Butenoic acid, 3-butoxy-, ethyl ester-->4(3H)-Pyrimidinone, 2-amino-5-butyl-3-ethyl-6-methyl--->ETHIRIMOL-->CHEMBRDG-BB 9072033
Hazard InformationBack Directory
[Chemical Properties]

This product is a transparent oily liquid, bp111.5℃/1.8 kpa, insoluble in water, soluble in most organic solvents.
[Uses]

Ethyl 2-Acetylhexanoate can be used as polymer photographic color images.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 64, p. 580, 1942 DOI: 10.1021/ja01255a035
Synthetic Communications, 24, p. 111, 1994 DOI: 10.1080/00397919408012633
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 2-acetylhexanoate(1540-29-0)MS
Ethyl 2-acetylhexanoate(1540-29-0)1HNMR
Ethyl 2-acetylhexanoate(1540-29-0)13CNMR
Ethyl 2-acetylhexanoate(1540-29-0)IR1
Ethyl 2-acetylhexanoate(1540-29-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl 2-n-butylacetoacetate, 95%(1540-29-0)
[TCI AMERICA]

Ethyl 2-Butylacetoacetate,>95.0%(GC)(1540-29-0)
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