Introduction:Basic information about CAS 99-76-3|Methyl 4-hydroxybenzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 4-hydroxybenzoate |
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| CAS Number | 99-76-3 | Molecular Weight | 152.147 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 265.5±13.0 °C at 760 mmHg |
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| Molecular Formula | C8H8O3 | Melting Point | 125-128 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 116.4±12.6 °C |
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Names
| Name | methylparaben |
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| Synonym | More Synonyms |
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Methyl 4-hydroxybenzoate BiologicalActivity
| Description | Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, drugs and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1]. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>InfectionNatural Products >>Phenols |
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| References | [1]. Soni MG, et al. Evaluation of the health aspects of methyl paraben: a review of the published literature. Food Chem Toxicol. 2002 Oct;40(10):1335-73. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 265.5±13.0 °C at 760 mmHg |
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| Melting Point | 125-128 °C(lit.) |
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| Molecular Formula | C8H8O3 |
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| Molecular Weight | 152.147 |
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| Flash Point | 116.4±12.6 °C |
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| Exact Mass | 152.047348 |
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| PSA | 46.53000 |
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| LogP | 1.87 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.547 |
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| InChIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1ccc(O)cc1 |
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| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
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| Freezing Point | 131℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DH2450000
- CHEMICAL NAME :
- Benzoic acid, p-hydroxy-, methyl ester
- CAS REGISTRY NUMBER :
- 99-76-3
- BEILSTEIN REFERENCE NO. :
- 0509801
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C8-H8-O3
- MOLECULAR WEIGHT :
- 152.16
- WISWESSER LINE NOTATION :
- QR DVO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >8 gm/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - ataxia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 960 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 6 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Fibroblast
- DOSE/DURATION :
- 500 mg/L
- REFERENCE :
- ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (96),55,1978 *** REVIEWS *** TOXICOLOGY REVIEW ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,575,1954 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80461 No. of Facilities: 4469 (estimated) No. of Industries: 33 No. of Occupations: 50 No. of Employees: 57029 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80461 No. of Facilities: 15369 (estimated) No. of Industries: 94 No. of Occupations: 117 No. of Employees: 590361 (estimated) No. of Female Employees: 398916 (estimated)
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Safety Information
| Hazard Statements | H412 |
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| Precautionary Statements | P273 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi,Xn |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36-S24/25 |
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| RIDADR | UN 2769 |
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| WGK Germany | 1 |
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| RTECS | DH2450000 |
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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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Synonyms
| methyl p-hydroxybenzoate |
| 4-Hydroxybenzoic acid, methyl ester |
| 4-(Carbomethoxy)phenol |
| Mekkings M |
| Benzoic acid, 4-hydroxy-, methyl ester |
| Methylparaben |
| 4-(Methoxycarbonyl)phenol |
| Methyl parahydroxybenzoate |
| Killitol |
| Methyl chemosept |
| Methyl-4-hydroxybenzoate |
| p-Hydroxybenzoic acid methyl ester |
| methyl para-hydroxybenzoate |
| 4-Hydroxybenzoic Acid Methyl Ester |
| EINECS 202-785-7 |
| Methyl 4-hydroxybenzoate |
| Benzoic acid, p-hydroxy-, methyl ester |
| Nipagin |
| 4-Hydroxy-benzoic acid methyl ester |
| Metagin |
| p-Hydroxybenzoic acid, methyl ester |
| p-Hydroxybenzoic methyl ester |
| Methyl parasept |
| Tegosept M |
| 4-Hydroxybenzoic acid methylester |
| MFCD00002352 |
| Methyl Paraben |