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Propylparaben

CAS 94-13-3C10H12O3MW 180.08 g/mol

Propylparaben (CAS 94-13-3) — formula C10H12O3, molecular weight 180.08 g/mol.

Product Overview

CAS Number94-13-3
Molecular FormulaC10H12O3
Molecular Weight180.08 g/mol
Melting Point203 to 208 °F (NTP, 1992)
Boiling Point271 °F at 1 mmHg (NTP, 1992)
LogP3
ApplicationsLaboratory chemicals, Preservative

Applications

Documented applications: Laboratory chemicals, Preservative.

Technical Profile

What this product is

Propylparaben is a chemical compound with CAS registry number 94-13-3 and molecular formula C10H12O3 (molecular weight 180.08 g/mol).

Identification

CAS number: 94-13-3

Its molecular formula C10H12O3 comprises 10 C, 12 H, 3 O atoms.

Also known as: Propylparaben · 尼泊金丙酯

Frequently Asked Questions

What is the CAS number of Propylparaben?

The CAS registry number of Propylparaben is 94-13-3.

What is the molecular formula and molecular weight of Propylparaben?

Molecular formula C10H12O3, molecular weight 180.08 g/mol.

What other names is Propylparaben known by?

It is also registered under: Propylparaben, 尼泊金丙酯.

What are the documented applications of Propylparaben?

Recorded applications: Laboratory chemicals, Preservative.

PubChem Public Data

Independent reference data for Propylparaben (CAS 94-13-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number94-13-3
PubChem CID7175
Molecular formulaC10H12O3
Molecular weight180.08 g/mol
IUPAC namepropyl 4-hydroxybenzoate
InChIKeyQELSKZZBTMNZEB-UHFFFAOYSA-N
UNII (FDA)Z8IX2SC1OH
ChEBI IDCHEBI:32063
FEMA number2951

Computed descriptors

Molecular Weight180.20
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area46.5
Heavy Atom Count13

Physicochemical values on record

Boiling Point271 °F at 1 mmHg (NTP, 1992)
Boiling Point294.00 to 295.00 °C. @ 760.00 mm Hg
Melting Point203 to 208 °F (NTP, 1992)
Melting Point96.1 °C
Melting Point96 - 97 °C
SolubilityIn water, 5.00X10+2 mg/L at 25 °C
SolubilityIn water, 463 mg/L at 20 °C
Solubility0.5 mg/mL at 25 °C
Density1.287 g/cu cm at 20 °C
DensityDensity: 1.0630 g/cu cm at 102 °C

Documented uses on record

    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]

    Synonyms and trade names

    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

    Regulatory listings held on file

    Regulatory & Food ContactFDA 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 summary22.8% (644 / 2829)

    GHS hazard classification

    GHS notification summary22.8% (644 / 2829)
    Reported hazard statementsH315 (63.6%), H319 (66.7%), H335 (63.4%), H302, H317, H370, H373, H401

    This chemical does not meet GHS hazard criteria for 22.8% (644 of 2829) of reports.

    H315 (63.6%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    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).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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