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Substance Name: Butylparaben [NF]
RN: 94-26-8
UNII: 3QPI1U3FV8
InChIKey: QFOHBWFCKVYLES-UHFFFAOYSA-N

Classification Codes

  • Pharmaceutic Aid (Antifungal Agent)
  • Skin / Eye Irritant

Molecular Formula

  • C11-H14-O3

Molecular Weight

  • 194.2286
 
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Names and Synonyms

Name of Substance

  • Benzoic acid, 4-hydroxy-, butyl ester
  • Butyl 4-hydroxybenzoate
  • Butyl p-hydroxybenzoate
  • Butyl parahydroxybenzoate
  • Butylparaben
  • Butylparaben [NF]

Synonyms

  • 4-(Butoxycarbonyl)phenol
  • 4-10-00-00375 (Beilstein Handbook Reference)
  • 4-Hydroxybenzoic acid butyl ester
  • AI3-02930
  • Aseptoform butyl
  • Benzoic acid, 4-hydroxy-, butyl ester
  • Benzoic acid, p-hydroxy-, butyl ester
  • BRN 1103741
  • Butoben
  • Butyl 4-hydroxybenzoate
  • Butyl butex
  • Butyl chemosept
  • Butyl p-hydroxybenzoate
  • Butyl paraben
  • Butyl parasept
  • Butyl tegosept
  • Butyl-Parasept
  • Butylparaben
  • Caswell No. 130A
  • CCRIS 2462
  • EINECS 202-318-7
  • EPA Pesticide Chemical Code 061205
  • FEMA No. 2203
  • FEMA Number 2203
  • HSDB 286
  • n-Butyl hydroxybenzoate
  • n-Butyl p-hydroxybenzoate
  • n-Butyl parahydroxybenzoate
  • Nipabutyl
  • NSC 8475
  • p-Hydroxybenzoic acid butyl ester
  • Preserval B
  • Solbrol B
  • SPF
  • Tegosept B
  • Tegosept butyl
  • UNII-3QPI1U3FV8

Systematic Names

  • Benzoic acid, 4-hydroxy-, butyl ester
  • Benzoic acid, p-hydroxy-, butyl ester
  • Butyl 4-hydroxybenzoate
  • Butyl p-hydroxybenzoate

Superlist Names

  • Butyl 4-hydroxybenzoate
  • Butyl p-hydroxybenzoate
  • Butylparaben

Registry Numbers

CAS Registry Number

  • 94-26-8

FDA UNII

  • 3QPI1U3FV8

Other Registry Numbers

  • 1350551-41-5
  • 8068-49-3

System Generated Number

  • 0000094268

Structure Descriptors

InChI

1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

InChIKey

QFOHBWFCKVYLES-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)O)C(=O)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE Journal of the Society of Cosmetic Chemists. Vol. 28, Pg. 357, 1977.
mouse LD50 oral 13200mg/kg (13200mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 28, Pg. 463, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68.5 deg C   EXP
pKa Dissociation Constant 8.47 (none)   EXP
log P (octanol-water) 3.57 (none)   EXP
Water Solubility 207 mg/L 20 EXP
Vapor Pressure 1.86E-04 mm Hg 25 EST
Henry's Law Constant 8.45E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-11 cm3/molecule-sec 25 EST

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