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Octisalate

CAT: 0013-GTR19164268-02Size: 1 gDry Ice: NoHazardous: No
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Description
Octyl salicylate, or 2-ethylhexyl salicylate, is an organic compound used as an ingredient in sunscreens and cosmetics to absorb UVB (ultraviolet) rays from the sun. It is an ester formed by the condensation of a salicylic acid with 2-ethylhexanol. It is a colorless oily liquid with a slight floral odor.The salicylate portion of the molecule absorbs ultraviolet light, protecting skin from the harmful effects of exposure to sunlight. The ethylhexanol portion is a fatty alcohol, adding emollient and oil-like (water resistant) properties.
CAS Number
118-60-5
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
CCCCC (CC) COC (=O) C1=CC=CC=C1O
Molecular Formula
C15H22O3
Molecular Weight
250.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-Ethylhexyl salicylate

Ethylhexyl salicylate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number118-60-5
PubChem CID8364
IUPAC Name2-ethylhexyl 2-hydroxybenzoate
Molecular FormulaC15H22O3
Molecular Weight250.33
XLogP5.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity240
SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1O
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
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl salicylate
CAS: 118-60-5
CID: 8364
Formula: C15H22O3
MW: 250.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.33
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass250.15689456
Monoisotopic Mass250.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T0027-01Octisalate
HY-B0929R-01Octisalate (Standard)
T210574-01Octisalate-d4
AR-O01037-01Octisalate (2-ethylhexyl 2-hydroxybenzoate)

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