structure of Triethanolamine dioleate

Triethanolamine dioleate

CAS No.: 54999-00-7
M. Wt: 678.080
M. Fa: C42H79NO5
InChI Key: LKJAFAGFOFGLLS-CLFAGFIQSA-N
Appearance: Yellow-brown Liquid

Names and Identifiers of Triethanolamine dioleate

CAS Number

54999-00-7

EC Number

259-428-3

IUPAC Name

2-[2-hydroxyethyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate

InChI

InChI=1S/C42H79NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-40H2,1-2H3/b19-17-,20-18-

InChIKey

LKJAFAGFOFGLLS-CLFAGFIQSA-N

Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\CCCCCCCC)CCO

UNII

40Q022F4GX

Physical and chemical properties of Triethanolamine dioleate

Boiling Point

708.2±60.0 °C at 760 mmHg

Density

0.9±0.1 g/cm3

Exact Mass

677.595825

Flash Point

382.1±32.9 °C

Index of Refraction

1.482

LogP

16.18

Molecular Formula

C42H79NO5

Molecular Weight

678.080

PSA

76.07000

Storage condition

2-8°C

Vapour Pressure

0.0±5.1 mmHg at 25°C

Retrosynthesis analysis of Triethanolamine dioleate

  • Route#1

    Cas:102-71-6
    Cas:54999-00-7