Ethyl 2-acetylhexanoate

HCID 95466
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Basic information

CAS
1540-29-0
Standard SMILES
CCCCC(C(C)=O)C(=O)OCC
InChIKey
ZTOQBHVLCJERBS-UHFFFAOYSA-N
Molecular formula
C10H18O3
Average molar mass
186.25 g/mol
Monoisotopic mass
186.12559444

Names & identifiers

Preferred name
Ethyl 2-acetylhexanoate
IUPAC
ethyl 2-acetylhexanoate
English name
Ethyl 2-acetylhexanoate
Molecular formula
C10H18O3
Molecular weight
186.25

Names & synonyms

Ethyl 2-acetylhexanoate1540-29-0Ethyl 2-butylacetoacetateHexanoic acid, 2-acetyl-, ethyl ester2-Acetylhexanoic Acid Ethyl EsterEthyl .alpha.-butylacetoacetateCKN84UW7SKNSC-25322FEMA NO. 4452ETHYL 2-BUTYLACETYLACETATEEINECS 216-271-5ETHYL 2-BUTYL-3-OXOBUTANOATE
Show more names
Ethyl2-acetylhexanoatethyl 2-acetylcaproateETHYL-N-BUTYLACETOACETATEETHYL 2-ACETYL-N-CAPROATEethyl 2-ethanoylhexanoateETHYL 2-ACETYL-N-HEXANOATEETHYL 2-N-BUTYLACETOACETATEEthyl 2-Butylacetoacetate >
NSC-11771AI3-025433-CARBETHOXY-2-HEPTANONEDTXSID20862687CAPROIC ACID, .ALPHA.-ACETYL-, ETHYL ESTERNSC 11771NSC 25322NSC 404202

Database identifiers

CAS
1540-29-0
PubChem CID
95466
DTXSID
DTXSID20862687
UNII
CKN84UW7SK
EC Number
216-271-5
Nikkaji
J99.531B

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
13

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.949-0.959 (20 °C)
Solubility · 2 items

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point218-220 °C
Refractive Index1.425-1.435
Physical DescriptionColourless clear liquid; Fruity wine-like aroma

Physicochemical properties

Boiling point
65 °C · 65°C 1mm
Density
0 · 0,95 g/cm3
refractive index
1.432 · 1.4320
FEMA
4452 · 4452 | ETHYL 2-ACETYLHEXANOATE
Flash point
65 °C/1mm · 65°C/1mm
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

Hazard information

Regulatory InformationChemical: Hexanoic acid, 2-acetyl-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

wgk
WGK 3
hs_code
29153900
safety_code
24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Applications

UsesEthyl 2-Acetylhexanoate can be used as polymer photographic color images.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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