CAS 99-96-7|4-Hydroxybenzoic acid
Introduction：Basic information about CAS 99-96-7|4-Hydroxybenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Hydroxybenzoic acid | ||
|---|---|---|---|
| CAS Number | 99-96-7 | Molecular Weight | 138.121 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 336.2±25.0 °C at 760 mmHg |
| Molecular Formula | C7H6O3 | Melting Point | 213-217 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 171.3±19.7 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 4-hydroxybenzoic acid |
|---|---|
| Synonym | More Synonyms |
4-Hydroxybenzoic acid BiologicalActivity
| Description | 4-Hydroxybenzoic acid, a phenolic derivative of benzoic acid, could inhibit most gram-positive and some gram-negative bacteria, with an IC50 of 160 μg/mL. |
|---|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>BacterialNatural Products >>PhenylpropanoidsResearch Areas >>Infection |
| Target | Human Endogenous Metabolite Bacteria:160 μg/mL (IC50) |
| In Vitro | Most of the gram-positive and some gram-negative bacteria are sensitive to trans 4-Hydroxycinnamic acid (4-HBA) and 4-Hydroxybenzoic acid at IC50 concentrations of 100-170 and 160 μg/mL, respectively. The antimicrobial activities of 4-Hydroxycinnamic acid and t4-HCA against 11 food pathogenic bacteria, 6 plant pathogenic bacteria, 2 yeasts and 15 plant pathogenic fungi are tested by the paper disc method. These compounds inhibit the growth of most of the bacteria and yeasts at concentrations of 200-400 μg. However, the inhibition is more effective against most of the gram-positive bacteria. When tested by the paper disc method, 4-Hydroxycinnamic acid has stronger antimicrobial activity than t4-HCA against S. aureus, L. mesenteroides, S. cerevisiae and C. albicans at a concentration of 50 μg. However, no inhibitory effect against fungi was observed at concentrations even up to 1000 μg[1]. |
| References | [1]. Cho JY, Antimicrobial activity of 4-hydroxybenzoic acid and trans 4-hydroxycinnamic acid isolated and identified from rice hull. Biosci Biotechnol Biochem. 1998 Nov;62(11):2273-6. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 336.2±25.0 °C at 760 mmHg |
| Melting Point | 213-217 °C(lit.) |
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.121 |
| Flash Point | 171.3±19.7 °C |
| Exact Mass | 138.031693 |
| PSA | 57.53000 |
| LogP | 1.42 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.616 |
| InChIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(O)cc1 |
| Storage condition | Refrigerator |
| Water Solubility | 5 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(7),53,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 340 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),85,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRSTAT Drug Standards. (Washington, DC) V.19-28, 1951-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 20,89,1952
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 210 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 45,260,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1050 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 128,135,1960 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 42 gm/kg/6W-I
- TOXIC EFFECTS :
- Liver - other changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(7),53,1984
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 15 gm/kg/30D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - other changes
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),85,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81913 No. of Facilities: 312 (estimated) No. of Industries: 6 No. of Occupations: 11 No. of Employees: 2512 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81913 No. of Facilities: 41 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 2722 (estimated) No. of Female Employees: 1767 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
| RTECS | DH1925000 |
| HS Code | 2916399090 |
Customs
| HS Code | 2918290000 |
|---|---|
| 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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Synonyms
| 4-Hydroxybenzoicacid |
| Benzoic acid,4-hydroxy |
| PARAHYDROXY BENZOIC ACID |
| MFCD00002547 |
| EINECS 202-804-9 |
| 4-HYDROXYBENZOIC ACID FOR SYNTHESIS |
| 4-Hydroxybenzoic acid |
| p-Salicylic acid |
| 4-Hydroxy benzoic acid |
| HYDROXYBENZOIC ACID, P- POLYMER GRADE |
| |p|-Hydroxybenzoic acid |
| 4-Hydroxybenzoesaeure |
| Benzoic acid,p-hydroxy |
| P-HYDROXYBENZOIC ACID, REAGENT |
| PROPYL PARAHYDROXYBENZOATE IMP. A (EP): 4-HYDROXYBENZOIC ACID, CRM STANDARD |
| ACETYLSALICYLIC ACID IMPURITY A (ASPIRIN IMPURITY A) |
| 1-Naphthyl phsophoric acid sodium salt |
| 4-Carboxyphenol |
| p-Hydroxybenzoic acid |
| para-Hydroxybenzoic acid |
| 4-hydroxy-benzoic acid |
| papa-hydroxy-benzoic acid |
| p-carboxyphenol |
