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Substance Name: Methylparaben [USAN:NF]
RN: 99-76-3
UNII: A2I8C7HI9T
InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N

Note

  • Used as a preservative in cosmetics but potentiates UV-induced damage of skin.

Molecular Formula

  • C8-H8-O3

Molecular Weight

  • 152.1482
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Pharmaceutic Aid (Antifungal Agent)
  • Pharmaceutic Aids
  • Preservatives, Pharmaceutical

Names and Synonyms

Name of Substance

  • 4-Hydroxybenzoic acid, methyl ester
  • Benzoic acid, 4-hydroxy-, methyl ester
  • Methyl 4-hydroxybenzoate
  • Methyl p-hydroxybenzoate
  • Methyl parahydroxybenzoate
  • Methylparaben
  • Methylparaben [USAN:NF]

Synonyms

  • 4-(Methoxycarbonyl)phenol
  • 4-10-00-00360 (Beilstein Handbook Reference)
  • 4-Hydroxybenzoic acid methyl ester
  • Abiol
  • AI3-01336
  • Aseptoform
  • Benzoic acid, 4-hydroxy-, methyl ester
  • Benzoic acid, p-hydroxy-, methyl ester
  • BRN 0509801
  • Caswell No. 573PP
  • CCRIS 3946
  • EC 202-785-7
  • EINECS 202-785-7
  • EPA Pesticide Chemical Code 061201
  • FEMA No. 2710
  • FEMA Number 2710
  • HSDB 1184
  • Maseptol
  • Metaben
  • Methaben
  • Methyl 4-hydroxybenzoate
  • Methyl butex
  • Methyl chemosept
  • Methyl ester of p-hydroxybenzoic acid
  • Methyl p-hydroxybenzoate
  • Methyl p-oxybenzoate
  • Methyl paraben
  • Methyl parahydroxybenzoate
  • Methyl parasept
  • Methylben
  • Methylester kyseliny p-hydroxybenzoove
  • Methylester kyseliny p-hydroxybenzoove [Czech]
  • Methylparaben
  • Metoxyde
  • Moldex
  • Nipagin
  • Nipagin M
  • NSC 3827
  • p-Carbomethoxyphenol
  • p-Hydroxybenzoic acid methyl ester
  • p-Methoxycarbonylphenol
  • p-Oxybenzoesauremethylester
  • p-Oxybenzoesauremethylester [German]
  • Paridol
  • Preserval
  • Preserval M
  • Septos
  • Solbrol
  • Solbrol M
  • Tegosept M
  • UNII-A2I8C7HI9T

Systematic Names

  • Benzoic acid, 4-hydroxy-, methyl ester
  • Benzoic acid, p-hydroxy-, methyl ester
  • Methyl 4-hydroxybenzoate
  • Methyl-p-hydroxybenzoate

Superlist Names

  • Benzoic acid, p-hydroxy-, methyl ester
  • Methyl 4-hydroxybenzoate
  • Methyl p-hydroxybenzoate
  • Methylparaben

Registry Numbers

CAS Registry Number

  • 99-76-3

FDA UNII

  • A2I8C7HI9T

Other Registry Numbers

  • 1000398-37-7
  • 156291-94-0
  • 58339-84-7

Related Registry Number

  • 5026-62-0 (hydrochloride salt)

System Generated Number

  • 0000099763

Structure Descriptors

InChI

1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3

InChIKey

LXCFILQKKLGQFO-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3gm/kg (3000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 81, 1974.
mouse LD50 intraperitoneal 960mg/kg (960mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 260, 1956.
mouse LD50 oral > 8gm/kg (8000mg/kg) BEHAVIORAL: ATAXIA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)		 Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 260, 1956.
mouse LD50 subcutaneous 1200mg/kg (1200mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.
rabbit LD50 oral 6gm/kg (6000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 81, 1974.
rat LD50 subcutaneous > 500mg/kg (500mg/kg)   Clinical Toxicology. Vol. 4(2), Pg. 185, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 131 deg C   EXP
Boiling Point 275 dec deg C   EXP
log P (octanol-water) 1.96 (none)   EXP
Water Solubility 2500 mg/L 25 EXP
Vapor Pressure 2.37E-04 mm Hg 25 EST
Henry's Law Constant 2.16E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.