Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester

HCID 538758
NotesReactions
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Basic information

CAS
1522-34-5
Standard SMILES
CCOC(=O)C(CC(C)C)C(C)=O
InChIKey
ZGULNKYAODXSCS-UHFFFAOYSA-N
Molecular formula
C10H18O3
Average molar mass
186.25 g/mol
Monoisotopic mass
186.12559444

Names & identifiers

Preferred name
Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester
IUPAC
ethyl 2-acetyl-4-methylpentanoate
English name
Ethyl 2-isobutylacetoacetate
Molecular formula
C10H18O3
Molecular weight
186.25

Names & synonyms

1522-34-5Pentanoic acid, 2-acetyl-4-methyl-, ethyl esterRefChem:1094515604-836-2Ethyl 2-acetyl-4-methylpentanoateEthyl 2-isobutylacetoacetateMFCD004573712-acetyl-4-methylpentanoic acid ethyl esterValeric acid, 2-acetyl-4-methyl-, ethyl esterEthyl-2-acetyl-isohexanoateSCHEMBL179900Ethyl alpha-isobutylacetoacetate
Show more names
ETHYL, 2-ISOBUTYL ACETOACETATE2-Isobutylacetoacetic acid ethyl esterPentanoic acid,2-acetyl-4-Methyl-, ethyl ester
Ethyl 2-acetyl-4-methylvalerateDTXSID70337113ALBB-031686ethyl 2-acetyl-4-methyl-pentanoateEthyl 2-acetyl-4-methylpentanoate #AKOS006273938AS-17322DA-34367

Database identifiers

CAS
1522-34-5
PubChem CID
538758
DTXSID
DTXSID70337113
EC Number
604-836-2
Nikkaji
J99.530D

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
13

Physicochemical properties

storage temp.
2 · 2-8°C
Appearance
Colorless to light yellow Liquid

Chemistry & industry

Applications

UsesEthyl 2-isobutylacetoacetate

Upstream & downstream products

Suppliers38 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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