Phenols

Methyl 3,4-Dihydroxybenzoate

甲基原儿茶酸

PHY-NP-16009 · Natural product research catalog

Catalog number	PHY-NP-16009
CAS number	2150-43-8
Molecular formula	C₈H₈O₄
Molecular weight	168.148 g/mol
Chemical class	Phenols
Main reported source	Crocus sativus
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Methyl 3,4-Dihydroxybenzoate 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.

IUPAC name	methyl 3,4-dihydroxybenzoate
SMILES	COC(=O)C1=CC(=C(C=C1)O)O
InChIKey	CUFLZUDASVUNOE-UHFFFAOYSA-N
Subclass / scaffold	酚酸：Simple phenolic acids
PubChem CID	287064

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

View additional properties & classification

Ring count	1
Aromatic rings	1
Fraction Csp³	0.125
Synthetic accessibility score	1.7
QED score	0.482
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Phenolic acids (C6-C1)
NPClassifier class	Simple phenolic acids
Parent SMILES	COC(=O)c1ccc(O)c(O)c1
Parent formula	C₈H₈O₄
Parent molecular weight	168.148
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Crocus sativus
Reported source families	Fabaceae; Asteraceae; Lamiaceae

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

View occurrence records & references

LOTUS / Wikidata species	Crocus sativus[3]; Begonia nantoensis[2]; Durio zibethinus[2]; Salvia divinorum[2]; Acacia confusa[1]; Ailanthus triphysa[1]; Aristolochia heterophylla[1]; Aristolochia kaempferi[1]; Cacia confusa[1]; Camellia sinensis[1]; Carapa guianensis[1]; Colletotrichum gloeosporioides[1]; Delphinium venulosum[1]; Haplopteris anguste-elongata[1]; Lippia origanoides[1]
All reported source families	Fabaceae[4]; Asteraceae[4]; Lamiaceae[3]; Aristolochiaceae[2]; Verbenaceae[2]; Iridaceae[1]
Genus / family records	Asteraceae[1]; Chaetomium[1]; Compositae[1]
LOTUS species records	34
LOTUS reference records	37
COCONUT occurrence records	Acacia confusa; Aconitum leucostomum; Aconitum naviculare; Aglaia ponapensis; Ailanthus triphysa; Allium cepa; Anarsia lineatella; Apollonias barbujana; Aquilegia ecalcarata; Aristolochia heterophylla; Aristolochia kaempferi; Artemisia hanseniana; Asteraceae; Begonia nantoensis; Billbergia buchholtzii; Blumea mollis; Blumea riparia; Boehmeria nivea; Cacia confusa; Camellia sinensis; Capsicum tetragonum; Carapa guianensis; Ceanothus velutinus; Chaetomium; Chaetomium sp. + Bacillus subtilis; Chaetomium sp. + bacteria; Chlorophytum borivilianum; Colletotrichum gloeosporioides; Compositae; Crocus sativus
COCONUT organism records	98
COCONUT identifier	CNP0279680.0

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

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

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