Cas no 94-12-2 (Propyl 4-Aminobenzoate)

Propyl 4-Aminobenzoate is an ester derivative of para-aminobenzoic acid (PABA), commonly utilized in pharmaceutical and cosmetic formulations. This compound exhibits notable solubility in organic solvents while retaining the UV-absorbing properties characteristic of PABA derivatives, making it suitable for use in sunscreen formulations. Its esterification enhances stability and lipid compatibility, improving skin penetration and formulation versatility. Additionally, Propyl 4-Aminobenzoate serves as an intermediate in organic synthesis, particularly in the preparation of local anesthetics and other bioactive compounds. The propyl chain contributes to its moderate volatility and compatibility with hydrophobic matrices, broadening its applicability in both industrial and laboratory settings.
Propyl 4-Aminobenzoate structure
Propyl 4-Aminobenzoate structure
Product Name:Propyl 4-Aminobenzoate
CAS No:94-12-2
MF:C10H13NO2
MW:179.22
MDL:MFCD00017111
CID:81776
PubChem ID:87561929
Update Time:2025-05-20

Propyl 4-Aminobenzoate Chemical and Physical Properties

Names and Identifiers

    • Propyl 4-aminobenzoate
    • Propyl p-Aminobenzoate
    • 4-amino-benzoic acid propyl ester
    • Keloform P
    • n-Propyl 4-aminobenzoate
    • n-propyl p-aminobenzoate
    • Propaesin
    • Propazyl
    • Propesin
    • Propesine
    • Propylcain
    • Raythesin
    • Risocaine
    • 4-Aminobenzoic Acid Propyl Ester
    • 4-(Propoxycarbonyl)aniline
    • 4-aminobenzoic acid n-propyl ester
    • Benzoic acid, 4-amino-, propyl ester
    • Benzoic acid, p-amino-, propyl ester
    • Risocaine [USAN:INN]
    • Risocainum [INN-Latin]
    • P-AMINOBENZOIC ACID, PROPYL ESTER
    • Risocaina [INN-Spanish]
    • Propyl aminobenzoate
    • Propyl-p-aminobenzoate
    • Benzoic acid, p-amino-, propyl ester (7CI, 8CI)
    • Propesin (6CI)
    • NSC 23516
    • 4-amino-benzoicacipropylester
    • keloformp
    • NSC-23516
    • Oxabiotic, component of
    • PS-6053
    • Risocaine (USAN)
    • SR-01000944537
    • CHEMBL2107010
    • CAS-94-12-2
    • aniline, 4-propoxycarbonyl-
    • UNII-5CQ88I59ZI
    • Tox21_111984
    • DTXCID1026299
    • p-Aminobenzoic acid propyl ester
    • NCGC00160681-03
    • Benzoic acid,4-amino-,propyl ester
    • AKOS000120842
    • Tox21_111984_1
    • STK260141
    • MFCD00017111
    • DTXSID3046299
    • PARA-AMINOBENZOIC ACID PROPYL ESTER
    • RISOCAINE [HSDB]
    • DB-057472
    • 71735-15-4
    • InChI=1/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H
    • SCHEMBL118038
    • 1ST163568
    • CS-0013782
    • 94-12-2
    • NSC23516
    • WLN: ZR DVO3
    • Oprea1_851203
    • HSDB 2198
    • n-Propyl-4-aminobenzoate
    • Q7336329
    • D88238
    • SR-01000944537-1
    • NCGC00160681-01
    • Risocaina
    • HY-B1755
    • RISOCAINE [USAN]
    • p-Aminobenzoesaurepropylester
    • 5CQ88I59ZI
    • Risocaine [WHO-DD]
    • Propylcain; Raythesin
    • Risocainum
    • Propyl-p-amino benzoate
    • D05735
    • BRN 1211203
    • RISOCAINE [INN]
    • NS00040091
    • AI3-02759
    • EINECS 202-306-1
    • AK-918/41018790
    • A0274
    • Propyl 4-Aminobenzoate
    • MDL: MFCD00017111
    • Inchi: 1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
    • InChI Key: NBFQYHKHPBMJJV-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(N)=CC=1)OCCC
    • BRN: 1211203

Computed Properties

  • Exact Mass: 179.09500
  • Monoisotopic Mass: 179.094629
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.4
  • Topological Polar Surface Area: 52.3

Experimental Properties

  • Density: 1.1248 (rough estimate)
  • Melting Point: 72.0 to 76.0 deg-C
  • Boiling Point: 311.75°C (rough estimate)
  • Flash Point: 174.3°C
  • Refractive Index: 1.4989 (estimate)
  • PSA: 52.32000
  • LogP: 2.41680
  • pka: 2.40±0.10(Predicted)
  • Solubility: 397.9mg/L(25 oC)

Propyl 4-Aminobenzoate Security Information

Propyl 4-Aminobenzoate Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Propyl 4-Aminobenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium ,  AV 17X8 Solvents: 1-Propanol ;  5 - 300 min, 1 atm, 40 °C
Reference
Hydrogenation of aromatic nitro compounds on palladium-containing anion-exchange resins
Abdullaev, M. G.; Gebekova, Z. G., Petroleum Chemistry, 2016, 56(2), 146-150

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: 1-Propanol ;  rt; reflux
Reference
Chain-growth polycondensation via the substituent effect: Investigation of the monomer structure on synthesis of poly(N-octyl-benzamide)
Prehn, Frederick C. Jr; Etz, Brian D.; Reese, Caleb J.; Vyas, Shubham; Boyes, Stephen G., Journal of Polymer Science (Hoboken, 2020, 58(17), 2389-2406

Production Method 3

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  4 h, reflux
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  pH 7 - 8
Reference
Structure-activity relationships (SAR) research of thiourea derivatives as dual inhibitors targeting both HIV-1 capsid and human cyclophilin A
Chen, Kan; Tan, Zhiwu; He, Meizi; Li, Jiebo; Tang, Shixing; et al, Chemical Biology & Drug Design, 2010, 76(1), 25-33

Production Method 4

Reaction Conditions
Reference
Effects of alkyl chain length on molecular interactions. II. Complex isomerism in the alkyl p-aminobenzoate-picric acid systems
Togashi, Atsushi; Matsunaga, Yoshio, Bulletin of the Chemical Society of Japan, 1987, 60(3), 1171-3

Production Method 5

Reaction Conditions
Reference
Boron trifluoride ethyl ether as an effective catalyst in the synthesis of alkyl p-aminobenzoates
Kadaba, Pankaja K.; Carr, Martin; Tribo, Mark; Triplett, John; Glasser, A. C., Journal of Pharmaceutical Sciences, 1969, 58(11), 1422-3

Production Method 6

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  5 min, cooled; 4 h, reflux
Reference
Microsynthesis of a novel herbicide, propyl 4-[2-[(4, 6-dimethoxy-2- pyrimidinyl)oxy] benzylamino]benzoate
Yang, Zhengmin; Ye, Qingfu; Tang, Qinghong; Lu, Long, Henong Xuebao, 2006, 20(5), 423-428

Production Method 7

Reaction Conditions
1.1 Catalysts: Thionyl chloride ;  cooled; reflux
1.2 Reagents: Sodium carbonate Solvents: Water ;  pH 7 - 8
Reference
Study on the facile synthesis of alkyl 4-aminobenzoate
Xiong, Yang; Xia, Ke-xue; Yang, Long; Li, Sheng; Tian, Hui-hui; et al, Xinan Daxue Xuebao, 2013, 35(9), 74-79

Production Method 8

Reaction Conditions
1.1 Reagents: Diethyl carbonate Catalysts: Zinc triflate ;  18 h, 97 °C
Reference
Zinc-Catalyzed Esterification of N-β-Hydroxyethylamides: Removal of Directing Groups under Mild Conditions
Nishii, Yuji; Hirai, Takahiro; Fernandez, Sarah; Knochel, Paul; Mashima, Kazushi, European Journal of Organic Chemistry, 2017, 2017(34), 5010-5014

Production Method 9

Reaction Conditions
1.1 Catalysts: Sulfuric acid
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Synthesis and evaluation of alkyl 4-(2-cyanoacetamido)benzoates for antioxidant and analgesic activities
Madhavi, K.; Pavani, Ch, Journal of Chemical and Pharmaceutical Research, 2017, 9(3), 341-345

Production Method 10

Reaction Conditions
Reference
Liquid-phase hydrogenation of p-nitrobenzoic acid esters on palladium catalysts
Morogina, K.; Nasibulin, A. A.; Klyuev, M. V., Neftekhimiya, 1998, 38(4), 277-281

Production Method 11

Reaction Conditions
Reference
Steric effects in acid-catalyzed decomposition and base-catalyzed cyclization of 1-(2-alkoxycarbonylphenyl)-3-phenyltriazenes
Pytela, Oldrich; Halama, Ales, Collection of Czechoslovak Chemical Communications, 1996, 61(5), 751-763

Production Method 12

Reaction Conditions
1.1 Reagents: Sodium tert-butoxide ,  Ammonia Catalysts: [1,3-Bis[2,6-bis[3-methyl-1-(2-methylpropyl)butyl]phenyl]-4,5-dichloro-1,3-dihyd… Solvents: 1,4-Dioxane ;  6 h, 60 °C
Reference
Selective Cross-Coupling of (Hetero)aryl Halides with Ammonia To Produce Primary Arylamines using Pd-NHC Complexes
Lombardi, Christopher; Day, Jonathan; Chandrasoma, Nalin; Mitchell, David; Rodriguez, Michael J.; et al, Organometallics, 2017, 36(2), 251-254

Production Method 13

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: 12-Tungstophosphoric acid ,  Nickel platinum alloy Solvents: 1-Propanol ;  8 h, 0.1 MPa, 80 °C
Reference
A nano-reactor based on PtNi@metal-organic framework composites loaded with polyoxometalates for hydrogenation-esterification tandem reactions
Chen, Luning; Zhang, Xibo; Zhou, Jinhong; Xie, Zhaoxiong; Kuang, Qin; et al, Nanoscale, 2019, 11(7), 3292-3299

Propyl 4-Aminobenzoate Raw materials

Propyl 4-Aminobenzoate Preparation Products

Propyl 4-Aminobenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:94-12-2)Risocaine
Order Number:A1041876
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:12
Price ($):202.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:94-12-2)n-Propyl 4-aminobenzoate
Order Number:LE15704
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:13
Price ($):discuss personally

Additional information on Propyl 4-Aminobenzoate

Propyl 4-Aminobenzoate: A Comprehensive Overview

Propyl 4-Aminobenzoate (CAS No. 94-12-2) is a chemical compound that has garnered significant attention in various industries due to its versatile properties and applications. This compound, also known as 4-aminobenzoic acid propyl ester, belongs to the class of benzoates and is widely used in pharmaceuticals, cosmetics, and food additives. Its structure consists of a benzene ring with an amino group (-NH?) at the para position and a propyl ester group (-O-C?H?) attached to the carboxylic acid moiety.

The synthesis of Propyl 4-Aminobenzoate typically involves the esterification of 4-aminobenzoic acid with propanol, often catalyzed by acids such as sulfuric acid or enzymes. This reaction yields a stable ester that is soluble in organic solvents and exhibits mild acidic properties due to the presence of the amino group. The compound's solubility and stability make it suitable for various industrial applications, particularly in formulations where controlled release of active ingredients is desired.

One of the most notable applications of Propyl 4-Aminobenzoate is in the pharmaceutical industry, where it serves as an intermediate in the synthesis of drugs targeting cardiovascular diseases, inflammation, and bacterial infections. Recent studies have highlighted its potential as a precursor for developing anti-inflammatory agents and antimicrobial compounds, owing to its ability to modulate cellular signaling pathways and inhibit bacterial growth.

In the cosmetics sector, Propyl 4-Aminobenzoate is valued for its role as a stabilizer and emulsifier in skincare products. Its ability to enhance product consistency and prevent separation makes it a key ingredient in lotions, creams, and sunscreens. Additionally, research has shown that it can act as a mild skin conditioning agent, improving the texture and appearance of the skin without causing irritation.

The food industry has also embraced Propyl 4-Aminobenzoate as a food additive, particularly as an acidity regulator and flavor enhancer. Its mild acidic taste makes it ideal for balancing flavors in beverages and processed foods. Recent advancements have explored its use in functional foods aimed at improving gut health by promoting beneficial bacterial growth.

From an environmental perspective, Propyl 4-Aminobenzoate has been studied for its biodegradability and eco-friendly properties. Research indicates that it undergoes rapid microbial degradation under aerobic conditions, making it a safer alternative to more persistent chemicals in certain applications.

In conclusion, Propyl 4-Aminobenzoate (CAS No. 94-12-2) is a multifaceted compound with diverse applications across various industries. Its chemical stability, solubility, and biocompatibility make it an invaluable ingredient in modern formulations. As scientific research continues to uncover new potentials for this compound, its role in advancing healthcare, cosmetics, and food production is expected to grow significantly.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:94-12-2)Risocaine
A1041876
Purity:99%
Quantity:100g
Price ($):202.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:94-12-2)n-Propyl 4-aminobenzoate
LE15704
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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