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3-Methylbutanenitrile

CAS No.
625-28-5
Chemical Name:
3-Methylbutanenitrile
Synonyms
ISOVALERONITRILE;iso-C4H9CN;ISOAMYL NITRILE;Isopenmnenitrile;ISOBUTYL CYANIDE;isopentanenitrile;Isopentane nitrile;Isovaleronitrile>Isovaleronitrile 98%;3-Methylbutyronitrile
CBNumber:
CB3272190
Molecular Formula:
C5H9N
Molecular Weight:
83.13
MDL Number:
MFCD00001944
MOL File:
625-28-5.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-08-25 20:17:46

3-Methylbutanenitrile Properties

Melting point -100.8°C
Boiling point 128-130 °C730 mm Hg(lit.)
Density 0.795 g/mL at 25 °C(lit.)
refractive index n20/D 1.393(lit.)
Flash point 83 °F
solubility Chloroform (Slightly), Methanol (Slightly)
form Liquid
color Clear colorless
Dielectric constant 13.3(23℃)
InChI 1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
InChIKey QHDRKFYEGYYIIK-UHFFFAOYSA-N
SMILES CC(C)CC#N
LogP 1.070
Surface tension 26mN/m at 20°C
CAS DataBase Reference 625-28-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII N2G72X091L
NIST Chemistry Reference Butanenitrile, 3-methyl-(625-28-5)
EPA Substance Registry System Butanenitrile, 3-methyl- (625-28-5)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
Signal word  Danger
Hazard statements  H301+H311+H331-H315-H319-H226
Precautionary statements  P501-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
target organs Respiratory system
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xn
Risk Statements  10-22-36/37/38
Safety Statements  26-36
RIDADR  UN 1992 3/PG 3
WGK Germany  3
RTECS  NY1750000
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29269095
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
NFPA 704
3
2 0

3-Methylbutanenitrile price More Price(30)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 308528 Isovaleronitrile 98% 625-28-5 5g $93.6 2026-04-30 Buy
Sigma-Aldrich 308528 Isovaleronitrile 98% 625-28-5 25g $210 2026-04-30 Buy
TCI Chemical I0292 Isovaleronitrile >98.0%(GC) 625-28-5 25mL $83 2026-04-30 Buy
TCI Chemical I0292 Isovaleronitrile >98.0%(GC) 625-28-5 100mL $198 2026-04-30 Buy
TRC TRC-I289746-500MG Isovaleronitrile 625-28-5 500mg $96 2026-06-03 Buy
Product number Packaging Price Buy
308528 5g $93.6 Buy
308528 25g $210 Buy
I0292 25mL $83 Buy
I0292 100mL $198 Buy
TRC-I289746-500MG 500mg $96 Buy

3-Methylbutanenitrile Chemical Properties, Uses, Production

Uses

Isovaleronitrile was used in the synthesis of a new type of nitrilase, arylacetonitrilase by Alcaligenes faecalis JM3 cells.

Definition

ChEBI: Isovaleronitrile is an aliphatic nitrile that is 2-methylpropane substituted by a cyano group at position 1. It has a role as a plant metabolite. It is an aliphatic nitrile and a volatile organic compound.

General Description

Isovaleronitrile induced Rhodococcus ATCC 39484 produced a nitrilase.

590-86-3
625-28-5
Synthesis of 3-Methylbutanenitrile from Isovaleraldehyde
Global Suppliers ( 106)
Supplier Tel Email Country ProdList Advantage
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40202 62
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Shijiazhuang Sdyano Fine Chemical Co., Ltd. 0311-89250318 13582355795 master@sjzsdyn.com China 2776 65
JinYan Chemicals(ShangHai) Co.,Ltd. 13817811078 sales@jingyan-chemical.com China 9963 60
Syntechem Co.,Ltd info@syntechem.com China 12973 57
Tianjin heowns Biochemical Technology Co., Ltd. 400 638 7771 sales@heowns.com China 14412 57
Maya High Purity Chemicals +86 (573) 82222445 (0)18006601000 452520369 sales@maya-r.com China 11693 57
T&W GROUP 021-61551611 13296011611 contact@trustwe.com China 9884 58
Thermo Fisher Scientific 800-810-5118 cnchemical@thermofisher.com China 17752 75

View Latest Price from 3-Methylbutanenitrile manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-Methylbutanenitrile pictures 2026-09-02 3-Methylbutanenitrile
625-28-5
$1.00-50.00 1KG 99% Henan Fengda Chemical Co., Ltd
3-Methylbutanenitrile pictures 2020-01-03 3-Methylbutanenitrile
625-28-5
$1.00 1KG 95-99% 1ton Career Henan Chemical Co
2-Methylbutane secondary mononitrile 2-methylbutanesecondarymononitrile 3-methyl-butanenitril 3-methyl-butyronitril 3-Methylbutyronitrile 3-methyl-butyronitrile Butanenitrile,3-methyl- Butyronitrile, 2-methyl- Butyronitrile, 3-methyl- iso-C4H9CN Isopentane nitrile isopentanenitrile ISOVALERONITRILE 98+% Isopenmnenitrile ISOAMYL NITRILE ISOBUTYL CYANIDE Isovaleronitrile 98% 3-methylbutanenitrile Isovaleronitrile> Isovaleronitrile/ 3-Methylbutyronitrile ISOVALERONITRILE 625-28-5 628-28-5 CH32CHCH2CN Building Blocks C1 to C5 Cyanides/Nitriles Organic Building Blocks Nitrogen Compounds C1 to C5 Cyanides/Nitriles Nitrogen Compounds Building Blocks C1 to C5 Chemical Synthesis Nitrogen Compounds Organic Building Blocks