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Reference substances

Reference substances

Currently viewing:
IUPAC name:
2-ethylhexyl palmitate

Inventory

EC number:
249-862-1
EC name:
2-ethylhexyl palmitate
CAS number:
29806-73-3
CAS number:
29806-73-3
Synonyms
Names:
2-ethylhexyl hexadecanoate
Hexadecanoic acid, 2-ethylhexyl ester
Octyl palmitate
Identifier:
IUPAC name
2-Ethylhexyl hexadecanoate
Identifier:
IUPAC name
2-ethylhexyl hexadecanoate
Identifier:
IUPAC name
Hexadecanoic acid, 2-ethylhexyl ester
Identifier:
IUPAC name
hexadecanoic acid, 2-ethlhexyl ester
Identifier:
INCI name
Ethylhexyl palmitate
Identifier:
other: InChl
InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3 AuxInfo=1/0/N:18,24,26,6,23,25,7,22,15,14,13,12,11,10,9,8,17,16,5,21,4,19,20,1,2,3/rA:26COOCCCCCCCCCCCCCCCCCCCCCCC/rB:d1;s1;s1;s4;;s6;;s8;s9;s10;s11;s12;s13;s7s14;s5;s8s16;s6;s3;s19;s20;s21;s22;s23;s20;s25;/rC:19.6112,-1.3763,0;19.6112,0,0;20.8439,-2.1218,0;18.2922,-2.1218,0;17.088,-1.4049,0;1.319,-1.2042,0;2.6378,-2.0643,0;13.1027,-2.1218,0;11.7551,-1.3763,0;10.5795,-2.0931,0;9.2321,-1.3475,0;7.8846,-2.0931,0;6.7092,-1.3763,0;5.3614,-2.1218,0;4.1572,-1.4336,0;15.7112,-2.1218,0;14.5077,-1.4049,0;0,-2.1218,0;22.1622,-1.3763,0;23.5104,-2.1218,0;24.7146,-1.4049,0;26.0622,-2.1504,0;27.4097,-1.4049,0;28.5846,-2.1218,0;23.539,-3.6699,0;24.8867,-4.3006,0;
Identifier:
other: InChl
InChI=1S/2C24H48O2/c2*1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h2*23H,4-22H2,1-3H3/t2*23-/m11/s1
Identifier:
other: InChl
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3
Identifier:
other: SMILES notation
O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCC
Identifier:
other: SMILES notation
O=C(OCC(CCCC)CC)CCCCCCCCCCCCCCC
2-ethylhexyl palmitate

Molecular and structural information

Molecular formula:
C24H48O2
Molecular weight:
368.637
SMILES notation:
CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
InChl:
InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3
Structural formula:
Chemical structure

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