CAS 5466-77-3|CAS 83834-59-7|Octinoxate|Ethylhexyl methoxycinnamate|(E)-3-(4-methoxyphenyl) prop-2-enoic acid 2-ethylhexyl ester|parsol|Uvinul MC80|2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate...

General Information

Structure

Molecular Formula

C₁₈H₂₆O₃

Molecular Mass

290.39724

Exact Mass

290.18819469

Charge

InChI

InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3

InChIKey

YBGZDTIWKVFICR-UHFFFAOYSA-N

Canonic Smiles

CCCCC(COC(=O)/C=C/c1ccc(cc1)OC)CC

Isomeric Smiles

O(c1ccc(cc1)/C=C/C(=O)OCC(CCCC)CC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.3802204

LogD (pH = 7.4)

5.3802204

Log P

5.3802204

Molar Refractivity

86.4404

Polarizability

33.703293

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

OctinoxateEthylhexyl methoxycinnamate(E)-3-(4-methoxyphenyl) prop-2-enoic acid 2-ethylhexyl esterUvinul MC80Octyl methoxycinnamate2-Ethylhexyl trans-4-methoxycinnamate反式-4-甲氧基肉桂酸异辛酯2-Ethylhex-1-yl 3-(4-methoxyphenyl)prop-2-enoate2-Ethylhex-1-yl 4-methoxycinnamate2-Ethylhex-1-yl 3-(4-methoxyphenyl)acrylate2-Ethylhexyl 4-methoxycinnamateOctyl methoxycinnamateOMC4-Methoxycinnamic acid 2-ethylhexyl ester2-Ethylhexyl 3-(4-methoxyphenyl)acrylate2-Ethylhexyl 4-methoxycinnamateOctinoxate

IUPAC Traditional name

parsol 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

IUPAC name

2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

Names and Identifiers

Registration numbers

Chemspider ID

4511170

Wikipedia Title

Octyl_methoxycinnamate

CAS Number

5466-77-383834-59-7