ChemicalBook--->CAS DataBase List--->6121-77-3

6121-77-3

6121-77-3 Structure

6121-77-3 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 2-heptyl-4,6-dihydroxy-, methyl ester
[CAS]

6121-77-3
[Synonyms]

methyl 2,4-dihydroxy-6-heptylbenzoate
2-heptyl-4,6-dihydroxyBenzoic acid methyl ester
Benzoic acid, 2-heptyl-4,6-dihydroxy-, methyl ester
[Molecular Formula]

C15H22O4
[MOL File]

6121-77-3.mol
[Molecular Weight]

266.33
Chemical PropertiesBack Directory
[Boiling point ]

431.8±30.0 °C(Predicted)
[density ]

1.111±0.06 g/cm3(Predicted)
[pka]

8.28±0.23(Predicted)
[InChI]

InChI=1S/C15H22O4/c1-3-4-5-6-7-8-11-9-12(16)10-13(17)14(11)15(18)19-2/h9-10,16-17H,3-8H2,1-2H3
[InChIKey]

UXZJWFSSCUTTBN-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=C(O)C=C(O)C=C1CCCCCCC
Hazard InformationBack Directory
[Chemical Properties]

Off white to faint pink solid.
[Uses]

In cosmetics (lotions, creams, and other cosmetics), methyl 2-heptyl-4,6-dihydroxybenzoate can be used as a preservative, an antioxidant and to enhance the scent and texture of products. In pharmaceuticals, it is used as a flavoring agent and as an anti-inflammatory. Methyl 2-heptyl-4,6-dihydroxybenzoate is also used in the fragrance industry, as a fixative and to add depth and complexity to scents. It is also used as a stabilizer in food products, where it helps to prevent oxidation and rancidity.
[Safety]

Methyl 2-heptyl-4,6-dihydroxybenzoate is considered to be a safe and non-toxic compound.
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