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Phenols

2,6-Dimethylphenol

2,6-二甲基酚

PHY-NP-15515 · Natural product research catalog

Catalog numberPHY-NP-15515
CAS number576-26-1
Molecular formulaC8H10O
Molecular weight122.167 g/mol
Chemical classPhenols
Main reported sourceCoffea arabica
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 2,6-Dimethylphenol

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10 mgRequest quoteTo be confirmedConfirm in quotation
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50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

2,6-Dimethylphenol is listed in the Phenols section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name2,6-dimethylphenol
SMILESCC1=C(C(=CC=C1)C)O
InChIKeyNXXYKOUNUYWIHA-UHFFFAOYSA-N
Subclass / scaffold酚羟基×1
PubChem CID11335

Computed properties

Exact mass (Da)122.0732Predicted LogP2.009
Predicted TPSA (Ų)20.23H-bond donors1
H-bond acceptors1Rotatable bonds0

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count1
Aromatic rings1
Fraction Csp³0.25
Synthetic accessibility score1.55
QED score0.558
Lipinski rule violations0
Parent SMILESCc1cccc(C)c1O
Parent formulaC8H10O
Parent molecular weight122.167
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceCoffea arabica
Reported source familiesRubiaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesCoffea arabica[1]
All reported source familiesRubiaceae[1]
LOTUS species records1
LOTUS reference records1
COCONUT occurrence recordsCoffea arabica
COCONUT organism records1
COCONUT identifierCNP0332594.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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