Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

55624

Sigma-Aldrich

3-Hydroxy-3-methylbutyronitrile

≥97.0% (GC)

Synonym(s):

β-Hydroxyisovaleronitrile

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
HOC(CH3)2CH2CN
CAS Number:
13635-04-6
Molecular Weight:
99.13
Beilstein:
1738209
MDL number:
MFCD00043123
UNSPSC Code:
12352100
PubChem Substance ID:
57651542
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

Assay

≥97.0% (GC)

refractive index

n20/D 1.430

bp

114-116 °C/30 mmHg (lit.)

density

0.959 g/mL at 20 °C (lit.)

functional group

hydroxyl
nitrile

storage temp.

2-8°C

SMILES string

CC(C)(O)CC#N

InChI

1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3

InChI key

CWPMDJFBWQJRGT-UHFFFAOYSA-N

General description

3-Hydroxy-3-methylbutyronitrile is a β-hydroxynitrile. It undergoes thermal degradation in gas phase via a six-membered cyclic transition state.[1] 3-Hydroxy-3-methylbutyronitrile can be synthesized from 2-hydroxy-2-methyl-1-bromopropane.[2]

Application

3-Hydroxy-3-methylbutyronitrile may be used to synthesize 1,1-dimethylcyanoethyl bromoacetate.[3]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H332

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

206.6 °F - closed cup

Flash Point(C)

97 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCBZ4270
BCCJ6989
BCBR8259V
1429583
BCBH0689V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Elimination kinetics of β-hydroxynitriles in the gas phase.
Chuchani G, et al.
Journal of Physical Organic Chemistry, 12, 19-23 (1999)
Theoretical study of the thermolysis reaction of β-hydroxynitriles in the gas phase.
Chamorro E, et al.
International Journal of Quantum Chemistry, 91(5), 618-625 (2003)
Douglas J Dellinger et al.
Journal of the American Chemical Society, 125(4), 940-950 (2003-01-23)
Phosphonoacetate and thiophosphonoacetate oligodeoxynucleotides were prepared via a solid-phase synthesis strategy. Under Reformatsky reaction conditions, novel esterified acetic acid phosphinodiamidites were synthesized and condensed with appropriately protected 5'-O-(4, 4'-dimethoxytrityl)-2'-deoxynucleosides to yield 3'-O-phosphinoamidite reactive monomers. These synthons when activated with tetrazole

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service