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Octinoxate

CAT: 0931-T0073-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T0073-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5466-77-3
Target
Thyroid hormone receptor (THR), Cytochromes P450, Androgen Receptor, Estrogen Receptor/ERR
Related Pathways
Metabolism, Endocrinology/Hormones
Purity
0.9993
Bioactivity
Octinoxate (Octyl 4-methoxycinnamate) is used is in sunscreens and other cosmetics to absorb UV-B rays from the sun, protecting the skin from damage, primarily as an ingredient in some sunscreens and lip balms. It is also used to reduce the appearance of scars.
Smiles
CCCCC(CC)COC(=O)\C=C\c1ccc(OC)cc1
Molecular Formula
C18H26O3
Molecular Weight
290.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Octinoxate

Octyl 4-methoxycinnamic acid is a cinnamate ester.

CAS Number5466-77-3
PubChem CID5355130
IUPAC Name2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Molecular FormulaC18H26O3
Molecular Weight290.4
XLogP5.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity304
SMILES
CCCCC(CC)COC(=O)/C=C/C1=CC=C(C=C1)OC
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/b13-10+
InChIKey
YBGZDTIWKVFICR-JLHYYAGUSA-N
Chemical Structure
2D Structure
2D structure of Octinoxate
CAS: 5466-77-3
CID: 5355130
Formula: C18H26O3
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass290.18819469
Monoisotopic Mass290.18819469
Topological Polar Surface Area35.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity304
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-O257500-10GOctinoxate
CS-T-93227Octinoxate-d3
TRC-O257502-25MGOctinoxate-13C3
HY-B1234A(E) -Octinoxate
HY-B1234R-01Octinoxate (Standard)
HY-B1234SOctinoxate-13C, d3
AR-O01036-01Octinoxate-13C-d3
HY-B1234AS(E) -Octinoxate-13C, d3
AR-O01035-01Octinoxate (Octyl 4-Methoxycinnamate)

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