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7053-88-5

7053-88-5 Structure

7053-88-5 Structure
IdentificationBack Directory
[Name]

2-HYDROXY-3-ISOPROPYLBENZOIC ACID
[CAS]

7053-88-5
[Synonyms]

3-isopropyl-salicylicaci
3-ISOPROPYLSALICYLIC ACID
2-HYDROXY-3-ISOPROPYLBENZOIC ACID
2-hydroxy-3-propan-2-ylbenzoicaci
2-Hydroxy-3-isopropylbenzoic acid 98%
Benzoic acid, 2-hydroxy-3-(1-methylethyl)-
[Molecular Formula]

C10H12O3
[MDL Number]

MFCD00075272
[MOL File]

7053-88-5.mol
[Molecular Weight]

180.2
Chemical PropertiesBack Directory
[Melting point ]

73-75 °C(lit.)
[Boiling point ]

301.6±35.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[form ]

solid
[pka]

3.03±0.10(Predicted)
[InChI]

InChI=1S/C10H12O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6,11H,1-2H3,(H,12,13)
[InChIKey]

XGAYQDWZIPRBPF-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39-36
[WGK Germany ]

3
[RTECS ]

VO4378000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thionyl chloride-->Isopropyl alcohol-->Isopropyl salicylate
Hazard InformationBack Directory
[Chemical Properties]

Isopropyl salicylate is a colorless, transparent liquid. The industrial product is a light yellow to reddish-brown oily liquid with a distinctive aromatic odor. Its bp is 240-248°C/2.26 kPa, n20D is 1.511, and its relative density is 1.090-1.100. It is insoluble in water but soluble in organic solvents. It decomposes in alkaline solutions.
[Uses]

2-Hydroxy-3-isopropylbenzoic acid may be used in the preparation of 3-isopropylgentisic acid.
[General Description]

2-Hydroxy-3-isopropylbenzoic acid is an analog of general anesthetic compound, propofol (2,6-diisopropylphenol). It was investigated for general anesthetic activity in Xenopus laevis tadpoles and for the ability to produce enhancement of submaximal GABA responses.
Spectrum DetailBack Directory
[Spectrum Detail]

2-HYDROXY-3-ISOPROPYLBENZOIC ACID(7053-88-5)1HNMR
2-HYDROXY-3-ISOPROPYLBENZOIC ACID(7053-88-5)Raman
2-HYDROXY-3-ISOPROPYLBENZOIC ACID(7053-88-5)IR
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