Propyl 4-hydroxybenzoate - ≥99%(GC) , CAS No.94-13-3

Name: Propyl 4-hydroxybenzoate - ≥99%(GC) , CAS No.94-13-3
SKU: P105152
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CAS: 94-13-3 Cat. No.: P105152 Formula: C₁₀H₁₂O₃ Molecular Weight: 180.20 Beilstein Registry Number: 1103245 EC Number: 202-307-7

44 Citations COA

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Propyl 4-hydroxybenzoate - ≥99%(GC) CAS No(94-13-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥99%(GC)

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product Solution Calculators Reviews Frequently Asked Questions

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Why this grade

≥99%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 44 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

Pubchem Sid	488180323
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180323
Canonical Smiles	CCCOC(=O)C1=CC=C(C=C1)O
IUPAC Name	propyl 4-hydroxybenzoate
InChIKey	QELSKZZBTMNZEB-UHFFFAOYSA-N
INCHI	1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
Isomeric SMILES	CCCOC(=O)C1=CC=C(C=C1)O
WGK Germany	1
RTECS	DH2800000
Molecular Weight	180.20
Beilstein	1103245
Reaxy-Rn	1103245
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103245&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzoic acid esters
        Level6 p-Hydroxybenzoic acid esters
        Level7 p-Hydroxybenzoic acid alkyl esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent	p-Hydroxybenzoic acid alkyl esters
Alternative Parents	Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-hydroxybenzoic acid alkyl ester - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors	phenols - benzoate ester - paraben
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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SLC18A2 Tclin Synaptic vesicular amine transporter (118 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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Lymphoblastoid cell (5959 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

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UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Ralstonia solanacearum (520 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

20 results found

Lot Number	Certificate Type	Date	Item
L2215269	Certificate of Analysis	Sep 07, 2026	P105152
L2215268	Certificate of Analysis	Sep 07, 2026	P105152
L2215267	Certificate of Analysis	Sep 07, 2026	P105152
B2226706	Certificate of Analysis	Dec 12, 2025	P105152
I2111241	Certificate of Analysis	Jun 09, 2025	P105152
G2529165	Certificate of Analysis	Jul 10, 2024	P105152
G2529166	Certificate of Analysis	Jul 10, 2024	P105152
G2529167	Certificate of Analysis	Jul 10, 2024	P105152
L2325013	Certificate of Analysis	Nov 15, 2022	P105152
A2506245	Certificate of Analysis	Nov 15, 2022	P105152
L2215270	Certificate of Analysis	Nov 15, 2022	P105152
L2215254	Certificate of Analysis	Nov 15, 2022	P105152
B2510057	Certificate of Analysis	Nov 15, 2022	P105152
H2407058	Certificate of Analysis	Jan 06, 2022	P105152
C2406007	Certificate of Analysis	Jan 06, 2022	P105152
B2306975	Certificate of Analysis	Jan 06, 2022	P105152
B2306974	Certificate of Analysis	Jan 06, 2022	P105152
B2226737	Certificate of Analysis	Jan 06, 2022	P105152
B2226707	Certificate of Analysis	Jan 06, 2022	P105152
B2226704	Certificate of Analysis	Jan 06, 2022	P105152

Chemical and Physical Properties

Solubility	Soluble in propylene glycol, ethanol, ether, acetone, methanol anddimethyl sulfoxide. Slightly soluble in glycerin. Insoluble in water.
Refractive Index	1.505
Flash Point(°C)	180℃
Melt Point(°C)	95-97°C
Molecular Weight	180.200 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Documents & Articles

Why Are Preservative Systems in Daily Chemical Products Effective? Common Types, Mechanisms of Action, and Factors Affecting Preservation Efficacy

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Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 94-13-3, the molecular formula is C10H12O3, and the molecular weight is 180.20 g/mol. InChIKey QELSKZZBTMNZEB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

📚 Citations by Application

Extraction & workup solvent32

Organic synthesis — reaction medium16

Crystallization & recrystallization1

Drug / compound screening1

Cytotoxicity screening1

Chromatography (HPLC / GC / TLC)30

Spectroscopy sample preparation2

Topical & ophthalmic formulation1

Electrochemistry & battery electrolyte2

Other applications6

Industrial & non-pharma application1

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Propyl 4-hydroxybenzoate - ≥99%(GC) , CAS No.94-13-3

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

Frequently Asked Questions

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