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3,5-Dihydroxytoluene

CAT: 0572-TRC-D454760-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D454760-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
504-15-4
Synonyms
1,3-Dihydroxy-5-methylbenzene; 1,5-Dihydroxy-3-methylbenzene; 3-Hydroxy-5-methylphenol; 5-Methyl-1,3-benzenediol; 5-Methyl-1,3-dihydroxybenzene; 5-Methylresorcinol; NSC 12441; Orcin; Orcinol
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cc1cc(O)cc(O)c1
Molecular Formula
C7 H8 O2
Molecular Weight
124.137
InChI
InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
Additionnal Information
IUPAC name: 5-methylbenzene-1,3-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Orcinol

Orcinol is a 5-alkylresorcinol in which the alkyl group is specified as methyl. It has a role as an Aspergillus metabolite. It is a 5-alkylresorcinol and a dihydroxytoluene.

CAS Number504-15-4
PubChem CID10436
IUPAC Name5-methylbenzene-1,3-diol
Molecular FormulaC7H8O2
Molecular Weight124.14
XLogP1.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity82
SMILES
CC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKey
OIPPWFOQEKKFEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Orcinol
CAS: 504-15-4
CID: 10436
Formula: C7H8O2
MW: 124.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.14
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass124.052429494
Monoisotopic Mass124.052429494
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity82.9
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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Alternative Products

CatalogName
FD33936-013,5-Dihydroxytoluene
FD10635-013,5-Dihydroxytoluene monohydrate
D31100-012,5-Dihydroxytoluene 99%
66366-01Orcinol Anhydrous extrapure (3,5- dihydroxytoluene), 99%
764678382,3-Dihydroxytoluene (3-Methylcatechol)
49330-01Orcinol Monohydrate extrapure (3,5- dihydroxytoluene monohydrate), 99%
1545054-Methyl Catechol (3,4-Dihydroxytoluene)
36916-01Orcinol Monohydrate ExiPlus, Multi-Compendial (3,5- dihydroxytoluene monohydrate), 99%
10864971-012-Methylresorcinol (2,6-Dihydroxytoluene)
0214423,5,3’,5’-Tetrachlorobisphenol A

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