CAS 29736-80-9 Methyl 3,5-dioxohexanoate (HCID 538296)

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Basic information

CAS: 29736-80-9
Standard SMILES: COC(=O)CC(=O)CC(C)=O
InChIKey: JUKCTOHWTHYRPF-UHFFFAOYSA-N
Molecular formula: C7H10O4
Average molar mass: 158.15 g/mol
Monoisotopic mass: 158.0579088

Names & identifiers

Preferred name: Methyl 3,5-dioxohexanoate
IUPAC: methyl 3,5-dioxohexanoate
English name: Methyl 3,5-dioxohexanoate
Molecular formula: C7H10O4
Molecular weight: 158.15

Names & synonyms

Methyl 3,5-dioxohexanoate29736-80-9Hexanoic acid, 3,5-dioxo-, methyl esterDTXSID00337065RefChem:157409DTXCID90288153JUKCTOHWTHYRPF-UHFFFAOYSA-NMethyl3,5-dioxohexanoate3,5-Dioxo-hexanoic acid methyl esterMFCD12547105Methyl 35-dioxohexanoateSCHEMBL3585736

Show more names

3,5-dioxohexanoate3,5-Dioxohexanoic acid methyl esterBenzenamine,6-hydrazinyl-N,N-dimethyl-

AKOS015851473DS-16555SY108603CS-0137250AMY17189A5518FT-0757632C745

Database identifiers

CAS: 29736-80-9
PubChem CID: 538296
DTXSID: DTXSID00337065
Nikkaji: J145.263K

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 183

Physicochemical properties

Boiling point: 222 ℃ · 222℃
Density: 1.115 · 1.115
Flash point: 90 ℃ · 90℃
storage temp.: 2 · 2-8°C
pka: 7.72 · 7.72±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers38 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

2 records

New reaction record

HRID 628816As productuspto-grants-2016_04

HRID 628817As reactantuspto-grants-2016_04

Compound notes

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