Basic information
- CAS
72894-16-7- Standard SMILES
CCCCCCCC(C(=O)OC)C(=O)OC- InChIKey
UPVFLKZRQSPLQQ-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- Propanedioic acid, 2-heptyl-, 1,3-dimethyl ester
- IUPAC
- dimethyl 2-heptylpropanedioate
- English name
- DIMETHYL HEPTYLMALONATE
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
Dimethyl 2-heptylpropanedioate72894-16-7Propanedioic acid, heptyl-, dimethyl esterEINECS 276-968-5Propanedioic acid, 2-heptyl-, 1,3-dimethyl esterDTXSID6072633RefChem:868957DTXCID4047385Dimethyl heptylmalonateDimethyl heptylpropanedioateSCHEMBL166064SCHEMBL2944230
Show more names
AURORA KA-6075Dimethyl heptylamalonate2-Heptylpropanedioic acid dimethyl ester
SCHEMBL6518100UPVFLKZRQSPLQQ-UHFFFAOYSA-N2-Heptyl-malonic acid dimethyl esterDB-134858NS00037423
Database identifiers
- CAS
72894-16-7- PubChem CID
- 166347
- DTXSID
DTXSID6072633- EC Number
- 276-968-5
- Nikkaji
- J318.881G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- EPA Substance Registry System
- Propanedioic acid, heptyl-, dimethyl ester (72894-16-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanedioic acid, heptyl-, dimethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedioic acid, 2-heptyl-, 1,3-dimethyl ester: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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