3-吲哚丁酸

Description

3-Indolebutyric acid · CAS 133-32-4 · C12H13NO2. UNII 061SKE27JP. Melting Point: 124.5; Melting Point: 124.5 °C; Solubility: 250.

Identification

CAS Registry Number	133-32-4
PubChem CID	8617
Molecular formula	C12H13NO2
IUPAC name	4-(1H-indol-3-yl)butanoic acid
UNII (FDA)	061SKE27JP

Computed Descriptors

Molecular Weight	203.24
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	203.094628657
Monoisotopic Mass	203.094628657
Topological Polar Surface Area	53.1
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Melting Point	124.5
Melting Point	124.5 °C
Solubility	250
Solubility	In water, 250 mg/L @ 20 °C
Solubility	0.25 mg/mL at 20 °C
Vapor Pressure	0.00000117 [mmHg]
Vapor Pressure	1.8X10-6 mm Hg @ 25 °C /Estimated/
LogP	2.3
LogP	log Kow = 2.30
LogP	2.30

Physical description & handling notes

• White or slightly yellow solid; [Merck Index] Off-white powder; [MSDSonline]
• Solid
• White to slightly yellow crystals
• White to tan powder or crystalline solid
• Essentially odorless
• In benzene: >1000 g/L; in acetone, ethanol, diethyl ether: 30-100 g/L; in chloroform: 0.01-1 g/L

GHS Hazard Classification

Reported hazard statements	H301 (98%), H315 (95.9%), H319 (67.3%), H335 (65.3%)

Documented Uses

• Used to stimulate root formation of plant clippings; [HSDB] Similar in structure to the naturally occurring plant-growth hormone indole-3-acetic acid; Used on fruit, vegetable, and field crops and on ornamental turf; Used to reduce transplant shock in ornamental nursery stock; [Reference #1]
• To stimulate root formation of plant clippings.
• Information on 5 consumer products that contain 3-Indolebutyric acid in the following categories is provided:
• ... Heating indole, gamma-butyrolactone, and sodium hydroxide , followed by acidification of the product
• 1H-Indole-3-butanoic acid: ACTIVE
• indolebutyric acid (Class: Other Substances, Added Date: 06-2014)

Synonyms

Indole-3-butyric acid; 3-Indolebutyric acid; 133-32-4; 4-(1H-Indol-3-yl)butanoic acid; Indolebutyric acid; Hormodin; Seradix; 1H-INDOLE-3-BUTANOIC ACID; 4-(3-Indolyl)butyric acid; Jiffy grow; 4-indol-3-ylbutyric acid; Indole-3-butanoic acid; Indolbutyric acid; Seradix 2; Seradix 3; Seradix B 2

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Indolebutyric acid?

CAS 133-32-4; molecular formula C12H13NO2; molecular weight — g/mol.

What other names is 3-Indolebutyric acid known by?

Indole-3-butyric acid, 3-Indolebutyric acid, 133-32-4, 4-(1H-Indol-3-yl)butanoic acid, Indolebutyric acid, Hormodin.

Is 3-Indolebutyric acid classified as hazardous?

Hazard statements reported: H301, H315, H319, H335.

What are the key physical properties of 3-Indolebutyric acid?

Melting Point: 124.5; Melting Point: 124.5 °C; Solubility: 250; Solubility: In water, 250 mg/L @ 20 °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.