Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Heptylparaben
RN: 1085-12-7
UNII: K2CIJ448IX
InChIKey: ZTJORNVITHUQJA-UHFFFAOYSA-N

Note

  • Phospholipid-based emulsion.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-O3

Molecular Weight

  • 236.309
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Heptylparaben

Synonyms

  • 4-10-00-00378 (Beilstein Handbook Reference)
  • Benzoic acid, 4-hydroxy-, heptyl ester
  • Benzoic acid, p-hydroxy-, heptyl ester
  • BRN 2726540
  • EINECS 214-115-0
  • Heptyl 4-hydroxybenzoate
  • Heptyl p-hydroxybenzoate
  • Heptyl paraben
  • Heptylparaben
  • n-Heptyl p-hydroxybenzoate
  • Nipaheptyl
  • NSC 309818
  • p-Hydroxybenzoic acid heptyl ester
  • p-Oxybenzoesaureheptylester
  • p-Oxybenzoesaureheptylester [German]
  • Staypro WS 7
  • UNII-K2CIJ448IX

Systematic Names

  • Benzoic acid, 4-hydroxy-, heptyl ester
  • Benzoic acid, p-hydroxy-, heptyl ester
  • Heptyl 4-hydroxybenzoate

Superlist Name

  • Heptyl p-hydroxybenzoate

Registry Numbers

CAS Registry Number

  • 1085-12-7

FDA UNII

  • K2CIJ448IX

System Generated Number

  • 0001085127

Structure Descriptors

InChI

InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

InChIKey

ZTJORNVITHUQJA-UHFFFAOYSA-N

Smiles

CCCCCCCOC(=O)c1ccc(O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 4gm/kg (4000mg/kg) BEHAVIORAL: ANALGESIA

PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.83 (none)   EXP
Water Solubility 20 mg/L 30 EXP
Vapor Pressure 9.57E-06 mm Hg 25 EST
Henry's Law Constant 1.98E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.97E-11 cm3/molecule-sec 25 EST

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