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491-72-5

491-72-5 Structure

491-72-5 Structure
IdentificationBack Directory
[Name]

olivetolic acid
[CAS]

491-72-5
[Synonyms]

139400
olivetolic acid
Olivetolcarboxylic acid
olivanic acid powder 98%
2,4-Dihydroxy-6-pentylbenzoic acid
Benzoic acid, 2,4-dihydroxy-6-pentyl-
[Molecular Formula]

C12H16O4
[MDL Number]

MFCD28383644
[MOL File]

491-72-5.mol
[Molecular Weight]

224.25
Chemical PropertiesBack Directory
[Melting point ]

143 °C
[Boiling point ]

403.9±25.0 °C(Predicted)
[density ]

1.237±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.41±0.34(Predicted)
[color ]

Light Beige to Light Brown
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
[InChIKey]

SXFKFRRXJUJGSS-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H319-H317
[Precautionary statements ]

P261-P264-P270-P271-P272-P280-P301+P312-P330-P302+P352-P304+P340-P305+P351+P338-P362+P364-P333+P313-P321-P337+P313-P363-P501
Hazard InformationBack Directory
[Uses]

Olivetolic Acid is a precursor in the synthesis of primin and tetrahydrocannabinol.
[Definition]

ChEBI: A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively.
Spectrum DetailBack Directory
[Spectrum Detail]

olivetolic acid(491-72-5)1HNMR
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