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2,6-Dihydroxy-4-methylbenzaldehyde

CAT: 0572-TRC-D494613-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494613-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
526-37-4
Synonyms
Atranol (6CI); γ-Resorcylaldehyde, 4-methyl- (7CI,8CI); 2,6-Dihydroxy-4-methylbenzaldehyde; 2,6-Dihydroxy-p-methylbenzaldehyde; 4-Methyl-2,6-dihydroxybenzaldehyde; p-Orsellinaldehyde; Benzaldehyde, 2,6-dihydroxy-4-methyl-
Hazard Statement
Causes serious eye irritation.
Purity
>95% (HPLC)
Smiles
Cc1cc(O)c(C=O)c(O)c1
Molecular Formula
C8 H8 O3
Molecular Weight
152.1473
InChI
InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3
Additionnal Information
IUPAC name: 2,6-dihydroxy-4-methylbenzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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...
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

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