Basic information
- CAS
58296-43-8- Standard SMILES
O=C1CCCCCCCCC(=O)OCCCCO1- InChIKey
AMCTYGGTIWUNMF-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Names & identifiers
- Preferred name
- 1,6-Dioxacyclohexadecane-7,16-dione
- IUPAC
- 1,6-dioxacyclohexadecane-7,16-dione
- English name
- Sebacic acid butane-1,4-diyl ester
- Molecular formula
- C14H24O4
- Molecular weight
- 256.34
Names & synonyms
1,6-Dioxacyclohexadecane-7,16-dione58296-43-8Butyleneglycol sebacateDTXSID1069243RefChem:73610DTXCID2042355Sebacic acid butane-1,4-diyl esterbutylene sebacateOprea1_514851Oprea1_745649SCHEMBL1414084AMCTYGGTIWUNMF-UHFFFAOYSA-N
Show more names
1,6-Dioxa-7,16-cyclohexadecadioneSTK061354AKOS000623087AS-83182G83069
Database identifiers
- CAS
58296-43-8- PubChem CID
- 94013
- DTXSID
DTXSID1069243- Nikkaji
- J429.365G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,6-Dioxacyclohexadecane-7,16-dione (58296-43-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,6-Dioxacyclohexadecane-7,16-dione: INACTIVE
Suppliers1 total
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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