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Atranol

CAT: 0804-HY-W184893-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W184893-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Atranol is a strong contact allergen found in oak moss absolute (OMA) . Atranol causes contact dermatitis by inducing immune system allergic reactions. Atranol is promising for research of etiology of contact dermatitis and cosmetic allergens[1].
CAS Number
526-37-4
UNSPSC
12352005
Hazard Statement
H315-H317-H319
Target
Others
Related Pathways
Others
Field of Research
Inflammation/Immunology
Purity
90.000000
Smiles
O=CC1=C(O)C=C(C)C=C1O
Molecular Formula
C8H8O3
Molecular Weight
152.15
Precautions
P261-P264-P272-P280-P302+P352-P362+P364-P501
References & Citations
[1]Mowitz M, et al. Usage tests of oak moss absolutes containing high and low levels of atranol and chloroatranol. Acta Derm Venereol. 2014 Jul;94 (4) :398-402.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2,6-Dihydroxy-4-Methylbenzaldehyde

Atranol is a hydroxybenzaldehyde.

CAS Number526-37-4
PubChem CID458186
IUPAC Name2,6-dihydroxy-4-methylbenzaldehyde
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CC1=CC(=C(C(=C1)O)C=O)O
InChI
InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3
InChIKey
JASONGFGOLHLGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dihydroxy-4-Methylbenzaldehyde
CAS: 526-37-4
CID: 458186
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FD66159-01Atranol

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