Cas no 133-32-4 (4-(1H-indol-3-yl)butanoic acid)

4-(1H-Indol-3-yl)butanoic acid is a derivative of indole, featuring a butanoic acid side chain at the 3-position of the indole ring. This compound is of interest in organic synthesis and medicinal chemistry due to its structural similarity to biologically active molecules, such as tryptophan metabolites and serotonin derivatives. It serves as a versatile intermediate for the preparation of pharmaceuticals, agrochemicals, and other fine chemicals. The presence of both the indole moiety and carboxylic acid functional group allows for further derivatization, enabling applications in drug discovery and biochemical research. Its well-defined structure and purity make it suitable for precise synthetic applications.
4-(1H-indol-3-yl)butanoic acid structure
133-32-4 structure
Product Name:4-(1H-indol-3-yl)butanoic acid
CAS No:133-32-4
MF:C12H13NO2
MW:203.237123250961
MDL:MFCD00005664
CID:36303
PubChem ID:24896067
Update Time:2025-10-29

4-(1H-indol-3-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(1H-Indol-3-yl)butanoic acid
    • IBA
    • 4-(3-1H-Indolyl)butyric acid
    • Indole-3-butyric acid IBA
    • 4-(3-Indolyl)butyric acid
    • Indole-3-butyric acid,[4-(3-Indolyl)butyric acid]
    • Indole-3-butyric acid
    • Naftidrofuryl
    • 1H-INDOLE-3-BUTYRIC ACID
    • 2 -naphthalene acid
    • 3-indolebutyric acid
    • 3-Indolebutyricacid Solution
    • 1h-indole-3-butanoicacid
    • 3-INDOLEBUTYVIC ACID
    • 3-IndolybutYHic acid
    • 3-Indolybutyric acid
    • 3-Indolylbutyric acid
    • 3-indolyl-gamma-butyricacid
    • 4-(3-INDOLE)-BUTYRIC ACID
    • 4-(3-Indolyl)butyric acid (4-(3-Indolyl)butanoic acid
    • 4-(indol-3-yl)butyricacid
    • 4-(indolyl)-butyricaci
    • 4-indolylbutyric acid
    • beta-indolebutyricacid
    • gamma-(indol-3-yl)butyricacid
    • Kenting acid
    • Hormodin
    • Seradix
    • JBAA
    • Hormex
    • Rootex
    • seradix2
    • seradix3
    • Oxyberon
    • jiffygrow
    • Indolebutyric acid
    • 1H-INDOLE-3-BUTANOIC ACID
    • Indole-3-butanoic acid
    • Jiffy grow
    • 4-(Indol-3-yl)butyric acid
    • Hormex rooting powder
    • Indolbutyric acid
    • Seradix 2
    • Seradix 3
    • Seradix B 2
    • Seradix B 3
    • Rhizopon AA
    • beta-Indolebutyric acid
    • 3-Indolebutyric acid (IBA)
    • Indol-3,4'-yl butyric acid
    • Butyric acid, 4-(indolyl)-
    • 4-indol-3-ylbutyric acid
    • 3-Indolylbuty
    • 3-indolyl-gamma-butyric acid
    • 4-(1H-indol-3-yl)butanoic acid
    • MDL: MFCD00005664
    • Inchi: 1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
    • InChI Key: JTEDVYBZBROSJT-UHFFFAOYSA-N
    • SMILES: OC(CCCC1C2C(=CC=CC=2)NC=1)=O
    • BRN: 171120

Computed Properties

  • Exact Mass: 203.09500
  • Monoisotopic Mass: 203.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 230
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 53.1

Experimental Properties

  • Color/Form: The pure product is a white crystalline solid.
  • Density: 1.1255 (rough estimate)
  • Melting Point: 123.0 to 126.0 deg-C
  • Boiling Point: 341.55°C (rough estimate)
  • Flash Point: 211.8 °C
  • Refractive Index: 1.5440 (estimate)
  • Water Partition Coefficient: Soluble in water(0.25g/L).
  • Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents. Light sensitive.
  • PSA: 53.09000
  • LogP: 2.57520
  • Solubility: It is poorly soluble in water, and its solubility in water is 0.25g / L at 20 ℃. It is soluble in benzene and other organic solvents.
  • Merck: 4965
  • Sensitiveness: Air Sensitive

4-(1H-indol-3-yl)butanoic acid Security Information

  • Symbol: GHS06
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H301,H315,H319,H335
  • Warning Statement: P261,P301+P310,P305+P351+P338
  • Hazardous Material transportation number:UN 2811 6.1/PG 3
  • WGK Germany:3
  • Hazard Category Code: 25-36/37/38
  • Safety Instruction: S26-S36-S45-S38-S36/37/39-S28A
  • FLUKA BRAND F CODES:8-10-23
  • RTECS:NL5250000
  • Hazardous Material Identification: T
  • HazardClass:6.1
  • PackingGroup:III
  • Toxicity:LD50 i.p. in mice: 100 mg/kg (Anderson)
  • TSCA:T
  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R25; R36/37/38
  • Packing Group:III
  • Hazard Level:6.1

4-(1H-indol-3-yl)butanoic acid Customs Data

  • HS CODE:2942000000
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(1H-indol-3-yl)butanoic acid Pricemore >>

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4-(1H-indol-3-yl)butanoic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:133-32-4)4-(3-Indolyl)-butyric acid
Order Number:LE11501;LE8405416;LE6932
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:05
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
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(CAS:133-32-4)Indole-3-butyric acid
Order Number:sfd7527
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:133-32-4)4-(1H-indol-3-yl)butanoic acid
Order Number:A15199
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Quantity:500g/1kg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:02
Price ($):206.0/347.0

4-(1H-indol-3-yl)butanoic acid Spectrogram

GC-MS EI-B
GC-MS
1H NMR Methanol
1H NMR

Additional information on 4-(1H-indol-3-yl)butanoic acid

Comprehensive Overview of 4-(1H-indol-3-yl)butanoic acid (CAS No. 133-32-4): Properties, Applications, and Research Insights

4-(1H-indol-3-yl)butanoic acid (CAS No. 133-32-4), also known as indole-3-butyric acid (IBA), is a naturally occurring plant growth hormone belonging to the auxin family. This organic compound has garnered significant attention in both agricultural and pharmaceutical research due to its versatile biological activities. Structurally, it features an indole ring linked to a butanoic acid side chain, which is critical for its physiological functions. The compound is widely utilized in plant tissue culture, rooting agents, and as a precursor in the synthesis of other bioactive molecules.

In recent years, the demand for sustainable agriculture solutions has surged, driving interest in 4-(1H-indol-3-yl)butanoic acid as an eco-friendly alternative to synthetic growth regulators. Researchers are exploring its role in stress tolerance enhancement, particularly under drought conditions and soil salinity, which are pressing concerns in modern farming. Additionally, its potential in biostimulant formulations aligns with the global shift toward organic farming practices.

From a biochemical perspective, CAS No. 133-32-4 operates by stimulating cell elongation and division, primarily in root tissues. This mechanism has made it indispensable in horticulture for propagating cuttings and improving crop yields. Beyond agriculture, studies highlight its neuroprotective properties, with ongoing investigations into its applications in neurological disorders and anti-inflammatory therapies.

The synthesis of 4-(1H-indol-3-yl)butanoic acid typically involves Fischer indole synthesis or enzymatic conversion of tryptophan derivatives. Advances in green chemistry have further optimized its production, reducing reliance on hazardous reagents. Analytical techniques such as HPLC and mass spectrometry are employed to ensure purity, given its sensitivity to light degradation and oxidation.

Consumer trends indicate growing searches for "natural plant hormones" and "rooting hormone alternatives," reflecting broader interest in sustainable gardening. Frequently asked questions include "How does IBA compare to other auxins?" and "Can 4-(1H-indol-3-yl)butanoic acid improve indoor plant growth?"—topics addressed in recent peer-reviewed studies. Its compatibility with hydroponic systems also positions it as a key component in urban farming innovations.

In summary, 4-(1H-indol-3-yl)butanoic acid (CAS No. 133-32-4) exemplifies the intersection of agricultural science and biomedical research. Its multifaceted applications, coupled with rising environmental awareness, underscore its relevance in contemporary scientific discourse. Future research may unlock novel uses in biodegradable materials and precision agriculture, solidifying its status as a cornerstone compound in plant biotechnology.

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