CAS 99-76-3|Methyl 4-hydroxybenzoate

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 NameMethyl 4-hydroxybenzoate
CAS Number99-76-3Molecular Weight152.147
Density1.2±0.1 g/cm3Boiling Point265.5±13.0 °C at 760 mmHg
Molecular FormulaC8H8O3Melting Point125-128 °C(lit.)
MSDSChineseUSAFlash Point116.4±12.6 °C

Names

Namemethylparaben
SynonymMore Synonyms

Methyl 4-hydroxybenzoate BiologicalActivity

DescriptionMethyl 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].
Related CatalogSignaling Pathways >>Anti-infection >>BacterialResearch Areas >>InfectionNatural Products >>Phenols
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.

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point265.5±13.0 °C at 760 mmHg
Melting Point125-128 °C(lit.)
Molecular FormulaC8H8O3
Molecular Weight152.147
Flash Point116.4±12.6 °C
Exact Mass152.047348
PSA46.53000
LogP1.87
Vapour Pressure0.0±0.6 mmHg at 25°C
Index of Refraction1.547
InChIKeyLXCFILQKKLGQFO-UHFFFAOYSA-N
SMILESCOC(=O)c1ccc(O)cc1
StabilityStable. Incompatible with strong oxidizing agents, strong bases.
Freezing Point131℃

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 DATA

ACUTE 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)

Safety Information

Hazard StatementsH412
Precautionary StatementsP273
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi,Xn
Risk PhrasesR36/37/38
Safety PhrasesS26-S36-S24/25
RIDADRUN 2769
WGK Germany1
RTECSDH2450000
HS Code2918290000

Customs

HS Code2918290000
SummaryHS: 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
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