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Substance Name: Propylparaben [USAN:NF]
RN: 94-13-3
UNII: Z8IX2SC1OH
InChIKey: QELSKZZBTMNZEB-UHFFFAOYSA-N

Classification Codes

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

Molecular Formula

  • C10-H12-O3

Molecular Weight

  • 180.202
 

Names and Synonyms

Name of Substance

  • 4-Hydroxybenzoic acid, propyl ester
  • Benzoic acid, 4-hydroxy-, propyl ester
  • Propyl p-hydroxybenzoate
  • Propyl parahydroxybenzoate
  • Propylparaben
  • Propylparaben [USAN:NF]

Synonyms

  • 4-10-00-00374 (Beilstein Handbook Reference)
  • 4-Hydroxybenzoic acid propyl ester
  • AI3-01341
  • Aseptoform P
  • Bayer D 206
  • Benzoic acid, 4-hydroxy-, propyl ester
  • Benzoic acid, p-hydroxy-, propyl ester
  • Betacide P
  • Betacine P
  • Bonomold OP
  • BRN 1103245
  • Caswell No. 714
  • Chemacide pk
  • Chemocide pk
  • EC 202-307-7
  • EINECS 202-307-7
  • EPA Pesticide Chemical Code 061203
  • FEMA No. 2951
  • FEMA Number 2951
  • HSDB 203
  • n-Propyl p-hydroxybenzoate
  • Nipagin P
  • Nipasol
  • Nipasol M
  • Nipasol P
  • Nipazol
  • NSC 23515
  • p-Hydroxybenzoic acid propyl ester
  • p-Hydroxybenzoic propyl ester
  • p-Hydroxypropyl benzoate
  • p-Oxybenzoesaurepropylester
  • p-Oxybenzoesaurepropylester [German]
  • Paraben
  • Parasept
  • Paseptol
  • Preserval P
  • Propagin
  • Propyl 4-hydroxybenzoate
  • Propyl aseptoform
  • Propyl butex
  • Propyl chemosept
  • Propyl p-hydroxybenzoate
  • Propyl paraben
  • Propyl parahydroxybenzoate
  • Propyl Parasept
  • Propylester kyseliny p-hydroxybenzoove
  • Propylester kyseliny p-hydroxybenzoove [Czech]
  • Propylparaben
  • Propylparasept
  • Protaben P
  • Pulvis conservans (VAN)
  • Solbrol P
  • Tegosept P
  • UNII-Z8IX2SC1OH

Systematic Names

  • 4-Hydroxybenzoic acid, propyl ester
  • Benzoic acid, 4-hydroxy-, propyl ester
  • Benzoic acid, p-hydroxy-, propyl ester
  • Propyl 4-hydroxybenzoate

Superlist Names

  • Propyl 4-hydroxybenzoate
  • Propyl p-hydroxybenzoate
  • Propylparaben

Registry Numbers

CAS Registry Number

  • 94-13-3

FDA UNII

  • Z8IX2SC1OH

Other Registry Numbers

  • 58339-85-8
  • 59593-07-6

Related Registry Number

  • 35285-69-9 (mono-hydrochloride salt)

System Generated Number

  • 0000094133

Structure Descriptors

InChI

1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3

InChIKey

QELSKZZBTMNZEB-UHFFFAOYSA-N

Smiles

c1c(O)ccc(C(OCCC)=O)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 6332mg/kg (6332mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 28, Pg. 463, 1973.
mouse LD50 subcutaneous 1650mg/kg (1650mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.
rabbit LDLo oral 6gm/kg (6000mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 146, Pg. 208, 1929.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 97 deg C   EXP
log P (octanol-water) 3.04 (none)   EXP
Water Solubility 500 mg/L 25 EXP
Vapor Pressure 5.55E-04 mm Hg 25 EST
Henry's Law Constant 6.37E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-11 cm3/molecule-sec 25 EST

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