Propylparaben

Description

Propylparaben is identified by CAS 94-13-3, molecular formula C10H12O3 and molecular weight 180.08 g/mol. UNII Z8IX2SC1OH; ChEBI 32063; InChIKey QELSKZZBTMNZEB-UHFFFAOYSA-N. Boiling Point: 271 °F at 1 mmHg (NTP, 1992); Boiling Point: 294.00 to 295.00 °C. @ 760.00 mm Hg; Melting Point: 203 to 208 °F (NTP, 1992).

Identification

CAS Registry Number	94-13-3
PubChem CID	7175
Molecular formula	C10H12O3
Molecular weight	180.08 g/mol
IUPAC name	propyl 4-hydroxybenzoate
InChIKey	QELSKZZBTMNZEB-UHFFFAOYSA-N
UNII (FDA)	Z8IX2SC1OH
ChEBI ID	CHEBI:32063
FEMA number	2951

Computed Descriptors

Molecular Weight	180.20
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	46.5
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	271 °F at 1 mmHg (NTP, 1992)
Boiling Point	294.00 to 295.00 °C. @ 760.00 mm Hg
Melting Point	203 to 208 °F (NTP, 1992)
Melting Point	96.1 °C
Melting Point	96 - 97 °C
Solubility	In water, 5.00X10+2 mg/L at 25 °C
Solubility	In water, 463 mg/L at 20 °C
Solubility	0.5 mg/mL at 25 °C
Density	1.287 g/cu cm at 20 °C
Density	Density: 1.0630 g/cu cm at 102 °C

Physical description & handling notes

• Propyl-4-hydroxybenzoate appears as colorless crystals or white powder or chunky white solid. Melting point 95-98 °C. Odorless or faint aromatic odor. Low toxicity, Tasteless (numbs the tongue). pH: 6.5-7.0 (slightly acidic) in solution.
• Liquid; Other Solid; Dry Powder
• Colorless or white solid; [Hawley] White powder; [MSDSonline]
• Solid
• White crystals
• Prisms from ether

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: ANTIMICROBIAL AGENT, FLAVORING AGENT OR ADJUVANT PRESERVATIVE: Food Additives WITHDRAWN (2006) TRS 940-JECFA 67/30 FAS 58-JECFA 67 PROPYL p-OXYBENZOATE
GHS notification summary	22.8% (644 / 2829)

GHS Hazard Classification

GHS notification summary	22.8% (644 / 2829)
Reported hazard statements	H315 (63.6%), H319 (66.7%), H335 (63.4%), H302, H317, H370, H373, H401

Documented Uses

• Used as antimicrobial preservatives in pharmaceuticals, foods, cosmetics, and shampoos; [HSDB] The parabens (methyl, ethyl, propyl, and butyl) were the most widely used preservatives in cosmetics (0.1% to 0.8%) until their sensitizing potential was recognized; [Marks, p. 115]
• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#793]
• Pharmaceutic aid (antifungal); Antimicrobial perservative in foods and cosmetics.
• For more Uses (Complete) data for PROPYLPARABEN (8 total), please visit the HSDB record page.
• Food Additives -> PRESERVATIVE -> JECFA Functional Classes
• Not Known or Reasonably Ascertainable

Synonyms

PROPYLPARABEN; 94-13-3; Propyl paraben; Nipasol; Propyl p-hydroxybenzoate; Nipazol; Propagin; 4-Hydroxybenzoic acid propyl ester; Propyl parahydroxybenzoate; Tegosept P; Nipagin P; Propyl Butex; Betacide P; Nipasol P; Chemocide pk; Propyl Parasept

Frequently Asked Questions

What are the CAS number and molecular formula of Propylparaben?

CAS 94-13-3; molecular formula C10H12O3; molecular weight 180.08 g/mol.

What other names is Propylparaben known by?

PROPYLPARABEN, 94-13-3, Propyl paraben, Nipasol, Propyl p-hydroxybenzoate, Nipazol.

What is the regulatory status of Propylparaben?

Documented regulatory listings: FDA Substance added to food: ANTIMICROBIAL AGENT, FLAVORING AGENT OR ADJUVANT; PRESERVATIVE: Food Additives; WITHDRAWN (2006).

Is Propylparaben classified as hazardous?

22.8% of GHS notifications report no hazard classification (644 of 2829).

What are the key physical properties of Propylparaben?

Boiling Point: 271 °F at 1 mmHg (NTP, 1992); Boiling Point: 294.00 to 295.00 °C. @ 760.00 mm Hg; Melting Point: 203 to 208 °F (NTP, 1992); Melting Point: 96.1 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.