Indole-3-butyric acid

Indole-3-butyric acid
Names
	Preferred IUPAC name 4-(1H-Indol-3-yl)butanoic acid
	Other names 1H-Indole-3-butanoic acid; Indole-3-butyric acid; 3-Indolebutyric acid; Indolebutyric acid; IBA
Identifiers
CAS Number	133-32-4 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	171120
ChEBI	CHEBI:33070 ;
ChEMBL	ChEMBL582878 ;
ChemSpider	8298 ;
DrugBank	DB02740 ;
ECHA InfoCard	100.004.638
EC Number	205-101-5;
Gmelin Reference	143637
KEGG	C11284 ;
PubChem CID	8617;
RTECS number	NL5250000;
UNII	061SKE27JP;
CompTox Dashboard (EPA)	DTXSID8032623 ;
	InChI 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) Key: JTEDVYBZBROSJT-UHFFFAOYSA-N ; InChI=1/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) Key: JTEDVYBZBROSJT-UHFFFAOYAT;
	SMILES O=C(O)CCCc1c[nH]c2ccccc12;
Properties
Chemical formula	C12H13NO2
Molar mass	203.241 g·mol−1
Appearance	White to light yellow crystals
Density	1.252 g/cm3
Melting point	125 °C (257 °F; 398 K)
Boiling point	Decomposes
Structure
Crystal structure	cubic
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H301, H315, H319, H335
Precautionary statements	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
Flash point	211.8 °C (413.2 °F; 484.9 K)
Safety data sheet (SDS)	Oxford MSDS
Related compounds
Related	auxin; indole-3-acetic acid
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Indole-3-butyric acid (1H-indole-3-butanoic acid, IBA) is a white to light-yellow crystalline solid, with the molecular formula C₁₂H₁₃NO₂. It melts at 125°C in atmospheric pressure and decomposes before boiling. IBA is a plant hormone in the auxin family and is an ingredient in many commercial horticultural plant rooting products.

Names

Preferred IUPAC name 4-(1H-Indol-3-yl)butanoic acid
Other names 1H-Indole-3-butanoic acid Indole-3-butyric acid 3-Indolebutyric acid Indolebutyric acid IBA
Identifiers
CAS Number	133-32-4^Y
3D model (JSmol)	Interactive image
Beilstein Reference	171120
ChEBI	CHEBI:33070^Y
ChEMBL	ChEMBL582878^Y
ChemSpider	8298^Y
DrugBank	DB02740^Y
ECHA InfoCard	100.004.638
EC Number	205-101-5
Gmelin Reference	143637
KEGG	C11284^Y
PubChem CID	8617
RTECS number	NL5250000
UNII	061SKE27JP
CompTox Dashboard (EPA)	DTXSID8032623
InChI 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)^Y Key: JTEDVYBZBROSJT-UHFFFAOYSA-N^Y InChI=1/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) Key: JTEDVYBZBROSJT-UHFFFAOYAT
SMILES O=C(O)CCCc1c[nH]c2ccccc12
Properties
Chemical formula	C₁₂H₁₃NO₂
Molar mass	203.241 g·mol⁻¹
Appearance	White to light yellow crystals
Density	1.252 g/cm³
Melting point	125 °C (257 °F; 398 K)
Boiling point	Decomposes
Structure
Crystal structure	cubic
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H301, H315, H319, H335
Precautionary statements	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
Flash point	211.8 °C (413.2 °F; 484.9 K)
Safety data sheet (SDS)	Oxford MSDS
Related compounds
Related	auxin indole-3-acetic acid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references