Introduction：Basic information about CAS 4389-53-1|2-HYDROXY-6-ISOPROPYL-3-METHYLBENZOIC ACID, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-HYDROXY-6-ISOPROPYL-3-METHYLBENZOIC ACID |
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| CAS Number | 4389-53-1 | Molecular Weight | 194.22700 |
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| Density | 1.164g/cm3 | Boiling Point | 323ºC at 760mmHg |
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| Molecular Formula | C11H14O3 | Melting Point | 143-145ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 163.4ºC |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.164g/cm3 |
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| Boiling Point | 323ºC at 760mmHg |
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| Melting Point | 143-145ºC(lit.) |
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| Molecular Formula | C11H14O3 |
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| Molecular Weight | 194.22700 |
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| Flash Point | 163.4ºC |
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| Exact Mass | 194.09400 |
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| PSA | 57.53000 |
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| LogP | 2.52220 |
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| Index of Refraction | 1.562 |
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| InChIKey | ZHLQYPNVDAMSFD-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C(C)C)c(C(=O)O)c1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GZ6003000
- CHEMICAL NAME :
- p-Cymene-3-carboxylic acid, 2-hydroxy-
- CAS REGISTRY NUMBER :
- 4389-53-1
- BEILSTEIN REFERENCE NO. :
- 2615957
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C11-H14-O3
- MOLECULAR WEIGHT :
- 194.25
- WISWESSER LINE NOTATION :
- QVR BQ C1 FY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 237 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 57,989,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 216 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 20,506,1965
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | 36/37/38 |
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| Safety Phrases | 26-37/39 |
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| RIDADR | NONH for all modes of transport |
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| RTECS | GZ6003000 |
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| HS Code | 2918290000 |
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Customs
| HS Code | 2918290000 |
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| Summary | 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% |
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Articles1
More Articles
| 2-Hy-droxy-6-isopropyl-3-methyl-benzoic acid. Acta Crystallogr. Sect. E Struct. Rep. Online 67(Pt 5) , o1063, (2011) The title compound, C(11)H(14)O(3), is a multiple-substituted derivative of benzoic acid. Intra-cyclic C-C-C angles span a range of 117.16 (19)-122.32 (19)°. Apart from intra-molecular hydrogen bonds ... | |
Synonyms
| o-Carvacrotic acid |
| 2-Hydroxy-3-methyl-6-isopropylbenzoic acid |
| 2-Hydroxy-p-cymene-3-carboxylic acid |
| MFCD00075213 |
| 2-Hydroxy-6-isopropyl-3-methyl-benzoesaeure |
| 3-Methyl-6-isopropyl-salicylsaeure |
| o-Carvacrotinic acid |
| 2-Hydroxy-6-isopropyl-3-methylbenzoic acid |
| o-Carvacrotinsaeure |
| 6-Isopropyl-3-methylsalicylic acid |
