Ditridecyl fumarate

HCID 6436346
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Basic information

CAS
6864-32-0
Standard SMILES
CCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCC
InChIKey
DFKBFBPHOGVNGQ-OCEACIFDSA-N
Molecular formula
C30H56O4
Average molar mass
480.8 g/mol
Monoisotopic mass
480.41786027

Names & identifiers

Preferred name
Ditridecyl fumarate
IUPAC
ditridecyl (E)-but-2-enedioate
English name
DITRIDECYL FUMARATE
Molecular formula
C30H56O4
Molecular weight
480.76

Names & synonyms

DITRIDECYL FUMARATE6864-32-0FA6URM461D2-Butenedioic acid (2E)-, 1,4-ditridecyl ester2-Butenedioic acid (2E)-, ditridecyl esterDTXSID7012455552-BUTENEDIOICACID (2E)-, DITRIDECYL ESTERRefChem:589852DTXCID60910070ditridecyl (E)-but-2-enedioateUNII-FA6URM461DFumaric acid, ditridecyl ester
Show more names
Fumaric acid ditridecyl ester
SCHEMBL1013503Ditridecyl (2E)-but-2-enedioateDB-254569Q27277885

Database identifiers

CAS
6864-32-0
PubChem CID
6436346
DTXSID
DTXSID701245555
UNII
FA6URM461D
Nikkaji
J114.840K

Properties

Computed structural properties

XLogP
12.5
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
28
Heavy atoms
34

Physicochemical properties

Boiling point
230 °C · 230 °C(Press: 0.40 Torr)
Density
0.905 g/cm3 · 0.9050 g/cm3(Temp: 23 °C)
FDA UNII
6 URM461D · FA6URM461D
EPA Substance Registry System
2 · 2-Butenedioic acid (2E)-, ditridecyl ester (6864-32-0)
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39

Safety & regulation

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca
TSCA listed
risk_code
36/37/38
safety_code
26-36/37/39

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butenedioic acid (2E)-, 1,4-ditridecyl ester: INACTIVE

Suppliers1 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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