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Reference substances

Reference substances

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General information

Inventory

EC number:
244-754-0
EC name:
2-ethylhexyl stearate
CAS number:
22047-49-0

No inventory information available

Reference substance information

IUPAC name:
2-ethylhexyl octadecanoate
Synonyms
Names:
Octadecanoic acid, 2-ethylhexyl ester
Octyl stearate
Identifier:
CAS number
22047-49-0
Identifier:
IUPAC name
2-ethylhexyl octadecanoate
Identifier:
IUPAC name
Octadecanoic acid, 2-ethylhexyl ester + Hexadecanoic acid, 2-ethylhexyl ester
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
Identifier:
other: InChl
/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3
Identifier:
other: Molecular formula
C26H52O2 + C24H48O2
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC + CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
Identifier:
other: InChl
InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3
Identifier:
other: InChl
InChI=1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3
2-ethylhexyl stearate

CAS information

CAS number:
22047-49-0

Molecular and structural information

Molecular formula:
C26H52O2
Molecular weight:
ca. 382
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC + CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
InChl:
InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3
Structural formula:
Chemical structure