Basic information
- CAS
16958-88-6- Standard SMILES
CCCCCCCCOC(=O)CC(=O)OCCCCCCCC- InChIKey
DTVMXQFQTCJMOR-UHFFFAOYSA-N- Molecular formula
- C19H36O4
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.26135963
Names & identifiers
- Preferred name
- Propanedioic acid, 1,3-dioctyl ester
- IUPAC
- dioctyl propanedioate
- English name
- DIOCTYL MALONATE
- Molecular formula
- C19H36O4
- Molecular weight
- 328.49
Names & synonyms
Dioctyl malonatePropanedioic acid, 1,3-dioctyl esterRefChem:86892916958-88-6DIOCTYLMALONATEdioctyl propanedioate1,3-dioctyl propanedioatePropanedioic acid, dioctyl esterMFCD00048936DI-n-OCTYL MALONATEdioctyl propane-1,3-dioateSCHEMBL2215672
Show more names
Propanedioic acid dioctyl ester
SCHEMBL9395559DTXSID3066138AKOS024390675BS-15629SY317453CS-0160342ST51045931D81766
Database identifiers
- CAS
16958-88-6- PubChem CID
- 85652
- DTXSID
DTXSID3066138- Nikkaji
- J421.982A
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 363.4 · 363.4±10.0 °C(Predicted)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- pka
- 11.81 · 11.81±0.46(Predicted)
- color
- Colourless
- Odor
- 100 % · at 100.00%. fatty
- LogP
- 7.017 · 7.017 (est)
- EPA Substance Registry System
- Propanedioic acid, dioctyl ester (16958-88-6)
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301-H350-H372-H340
- Precautionary statements
- 201 · P201-P202-P210-P233-P240-P241-P242-P243-P260-P264-P270-P280-P303+P361+P353-P308+P313-P310-P330-P370+P378-P403+P235-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2917198090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H225-H301-H350-H372-H340
- Precautionary statements
- P201-P202-P210-P233-P240-P241-P242-P243-P260-P264-P270-P280-P303+P361+P353-P308+P313-P310-P330-P370+P378-P403+P235-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedioic acid, 1,3-dioctyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers22 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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