ChemicalBook--->CAS DataBase List--->58016-28-7

58016-28-7

58016-28-7 Structure

58016-28-7 Structure
IdentificationBack Directory
[Name]

methyl 2,4-dihydroxy-6-pentylbenzoate
[CAS]

58016-28-7
[Synonyms]

Methyl olivetolate
Olivetol Methyl Ester
methyl 2,4-dihydroxy-6-pentylbenzoate
methyl 2,4-dihydroxy-6-pentylbenzoate58016-28-7
Benzoic acid, 2,4-dihydroxy-6-pentyl-, methyl ester
Methyl olivetolate Other Name Methyl 2,4-dihydroxy-6-pentylbenzoate
[Molecular Formula]

C13H18O4
[MDL Number]

MFCD06737776
[MOL File]

58016-28-7.mol
[Molecular Weight]

238.28
Chemical PropertiesBack Directory
[Melting point ]

105-106 °C(Solv: benzene (71-43-2))
[Boiling point ]

409.3±30.0 °C(Predicted)
[density ]

1.153±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Dichloromethane; Ethyl Acetate
[form ]

Solid
[pka]

8.30±0.23(Predicted)
[color ]

Yellow
[InChI]

InChI=1S/C13H18O4/c1-3-4-5-6-9-7-10(14)8-11(15)12(9)13(16)17-2/h7-8,14-15H,3-6H2,1-2H3
[InChIKey]

RQGAOBDPFOADCM-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=C(CCCCC)C=C(O)C=C1O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H335-H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[REACH Registrations]

Active
[HS Code ]

2918290090
Hazard InformationBack Directory
[Description]

methyl 2,4-dihydroxy-6-pentylbenzoate is an organosynthetic intermediate compound used as a biological precursor for the synthesis of delta-9-tetrahydrocannabinol (THC). It has antibacterial properties against methicillin-resistant Staphylococcus aureus (MRSA) and Clostridium perfringens.
[Uses]

Methyl Olivetolate is an intermediate in synthesizing Δ9-Tetrahydrocannabinolic Acid (Acid A & B) (T293235). It is one of the substances screened for in meconium drug testings for medicinal opiods among addicted mothers. Δ9-Tetrahydrocannabinolic Acid has been shown to protect dopaminergic neurons against 1-methyl-4-Ph pyridinium (MPP+) induced cell death.
[Synthesis Reference(s)]

Tetrahedron Letters, 23, p. 2935, 1982 DOI: 10.1016/S0040-4039(00)87498-5
Spectrum DetailBack Directory
[Spectrum Detail]

methyl 2,4-dihydroxy-6-pentylbenzoate(58016-28-7)1HNMR
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