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4-Methylbenzylidene camphor

CAT: 0607-C3558-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-C3558-5000Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ultraviolet light blocker used in cosmetics and sunscreen preparations that also has estrogenic activities.
CAS Number
36861-47-9
Product Name Alternative
1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-bicyclo[2.2.1]heptan-2-one
Sequence
Enzacamene|Eusolex 6300|4-MBC|Neo Heliopan MBC|Parsol 500|Uvinul MBC 95
Field of Research
Endocrinology and Hormones Estrogen progestogen Receptor
Purity
0.989
Solubility
insoluble in H2O; ≥10 mg/mL in DMSO; ≥111.2 mg/mL in EtOH
Smiles
CC1=CC=C(/C=C2[C@H]3CC[C@@](C)(C3(C)C)C/2=O)C=C1
Molecular Formula
C18H22O
Molecular Weight
254.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

3-(4'-Methylbenzylidene)camphor
CAS Number36861-47-9
PubChem CID37563
IUPAC Name1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
Molecular FormulaC18H22O
Molecular Weight254.4
XLogP4.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity423
SMILES
CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C
InChI
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3
InChIKey
HEOCBCNFKCOKBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4'-Methylbenzylidene)camphor
CAS: 36861-47-9
CID: 37563
Formula: C18H22O
MW: 254.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass254.167065321
Monoisotopic Mass254.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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M20885-014-Methylbenzylidene camphor
UYB80641-014-Methylbenzylidene camphor-d4
FM25793-013- (4-Methylbenzylidene) camphor
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A17293-50004-Methylbenzylidene camphor 5g
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