Cas no 4389-53-1 (2-Hydroxy-6-isopropyl-3-methylbenzoic Acid)
2-Hydroxy-6-isopropyl-3-methylbenzoic acid is a substituted benzoic acid derivative characterized by its hydroxyl, isopropyl, and methyl functional groups at positions 2, 6, and 3, respectively. This compound is of interest in organic synthesis and pharmaceutical research due to its structural features, which may influence reactivity and biological activity. The presence of both electron-donating and sterically hindering groups on the aromatic ring can modulate its acidity and interaction with other molecules. It serves as a potential intermediate in the synthesis of more complex compounds, including agrochemicals or active pharmaceutical ingredients. Its well-defined structure allows for precise modifications in targeted synthetic pathways.
4389-53-1 structure
Product Name:2-Hydroxy-6-isopropyl-3-methylbenzoic Acid
CAS No:4389-53-1
MF:C11H14O3
MW:194.227063655853
CID:330989
PubChem ID:24860883
Update Time:2025-10-16
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
- 2-Hydroxy-6-isopropyl-3-methylbenzoic acid
- Benzoic acid,2-hydroxy-3-methyl-6-(1-methylethyl)-
- 2-Hydroxy-3-methyl-6-isopropylbenzoic acid
- 2-Hydroxy-6-isopropyl-3-methyl-benzoesaeure
- 2-Hydroxy-p-cymene-3-carboxylic acid
- 3-Methyl-6-isopropyl-salicylsaeure
- 6-Isopropyl-3-methylsalicylic acid
- o-Carvacrotic acid
- o-Carvacrotinic acid
- o-Carvacrotinsaeure
- 4-10-00-00738 (Beilstein Handbook Reference)
- p-CYMENE-3-CARBOXYLIC ACID, 2-HYDROXY-
- Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- (9CI)
- ZHLQYPNVDAMSFD-UHFFFAOYSA-N
- 3-methyl-2-oxidanyl-6-propan-2-yl-benzoic acid
- Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-
- 3-methyl-6-isopropylsalicylic acid
- 2-hydroxy-3-methyl-6-(propan-2-yl)benzoic acid
- InChI=1/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14
- BRN 2615957
- 4389-53-1
- FT-0635267
- DTXSID00195980
- AKOS009158730
- SCHEMBL504113
- A826451
- 2-Hydroxy-6-isopropyl-3-methylbenzoic acid, 99%
- 2-Hydroxy-3-methyl-6-(1-methylethyl)benzoic acid
- DB-051177
- 2-Hydroxy-6-isopropyl-3-methylbenzoic Acid
-
- MDL： MFCD00075213
- Inchi： 1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14)
- InChI Key： ZHLQYPNVDAMSFD-UHFFFAOYSA-N
- SMILES： OC1=C(C)C=CC(=C1C(=O)O)C(C)C
Computed Properties
- Exact Mass: 194.09400
- Monoisotopic Mass: 194.094294
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 13
- XLogP3: 3.1
- Topological Polar Surface Area: 57.5
Experimental Properties
- Color/Form: Not determined
- Density: 1.1130 (rough estimate)
- Melting Point: 143-145?°C (lit.)
- Boiling Point: 290.67°C (rough estimate)
- Flash Point: 163.4°C
- Refractive Index: 1.5087 (estimate)
- PSA: 57.53000
- LogP: 2.52220
- Solubility: Not determined
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： 26-37/39
- RTECS：GZ6003000
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid Customs Data
- HS CODE：2918290000
- Customs Data：
China Customs Code:
2918290000Overview:
2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported foodSummary:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 340979-5G |
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid |
4389-53-1 | 99% | 5G |
￥1313.23 | 2022-02-24 | |
| TRC | H953810-100mg |
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid |
4389-53-1 | 100mg |
$ 70.00 | 2022-06-04 | ||
| TRC | H953810-500mg |
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid |
4389-53-1 | 500mg |
$ 230.00 | 2022-06-04 | ||
| TRC | H953810-1g |
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid |
4389-53-1 | 1g |
$ 340.00 | 2022-06-04 |
2-Hydroxy-6-isopropyl-3-methylbenzoic Acid Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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