CAS 118-60-5|ethyl hexyl salicylate|2-ethylhexyl ester benzoic acid, 2-hydroxy-|benzoic acid, 2-hydroxy, 2-ethylhexyl ester;|octisalate|2-ethylhexyl 2-hydroxybenzoate|2-ethylhexyl ester salicylic ac...

General Information

Structure

Molecular Formula

C₁₅H₂₂O₃

Molecular Mass

250.33338

Exact Mass

250.15689456

Charge

InChI

InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3

InChIKey

FMRHJJZUHUTGKE-UHFFFAOYSA-N

Canonic Smiles

CCCCC(COC(=O)c1ccccc1O)CC

Isomeric Smiles

CCCCC(CC)COC(=O)c1ccccc1O

Calculated Properties

JChem

Acid pKa

9.719426

H Acceptors

H Donor

LogD (pH = 5.5)

5.3457093

LogD (pH = 7.4)

5.343675

Log P

5.345735

Molar Refractivity

72.2124

Polarizability

28.2423

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

ethyl hexyl salicylate2-ethylhexyl ester benzoic acid, 2-hydroxy-benzoic acid, 2-hydroxy, 2-ethylhexyl ester;2-hydroxy- 2-ethylhexyl ester benzoic acid2-ethylhexyl ester salicylic acidOctyl salicylate2-ethylhexyl salicylatebenzoic acid, 2-hydroxy-, 2-ethylhexyl estersalicylic acid, 2-ethylhexyl esteroctisalate2-Ethylhexyl salicylateOctyl salicylate柳酸辛酯水杨酸辛酯水杨酸-2-乙基己基酯水杨酸-2-乙基己基酯水杨酸辛酯Octisalate2-Ethylhexyl 2-hydroxybenzoate

IUPAC Traditional name

octisalate

IUPAC name

2-ethylhexyl 2-hydroxybenzoate

Names and Identifiers

Registration numbers

PubChem CID

626248364

Wikipedia Title

Octyl_salicylate

CAS Number

118-60-5