CAS
96164-66-8 Purity
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96164-66-8 Purity
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2-Methylbutyraldehyde
CAS
96-17-3
Catalog Number
ACM96173
Category
Other Products
Molecular Weight
86.13
Molecular Formula
C5H10O
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Specification
Synonyms
2-Formylbutane
IUPAC Name
2-Methylbutanal
Canonical SMILES
CCC(C)C=O
InChI
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
InChI Key
BYGQBDHUGHBGMD-UHFFFAOYSA-N
Boiling Point
90-92 °C
Melting Point
-67.38 °C
Flash Point
40 °F
Density
0.804 g/mL at 25 °C(lit.)
Solubility
Soluble in water, ether, and alcohol
Appearance
Clear liquid
Exact Mass
86.073164938
Hazard Statements
F:Flammable;Xi:Irritant;
H-Bond Acceptor
1
H-Bond Donor
0
Monoisotopic Mass
86.073164938
Packing Group
II
Physical State
Liquid
Refractive Index
n20/D 1.3919(lit.)
Safety Description
S16-S26-S39
Stability
Stable under normal temperatures and pressures.
Storage Conditions
2-8 °C
Topological Polar Surface Area
17.1 Ų
What is the molecular formula of 2-methylbutyraldehyde?
The molecular formula of 2-methylbutyraldehyde is C5H10O.
What is the molecular weight of 2-methylbutyraldehyde?
The molecular weight of 2-methylbutyraldehyde is 86.13 g/mol.
What are some synonyms for 2-methylbutyraldehyde?
Some synonyms for 2-methylbutyraldehyde include 2-METHYLBUTANAL, Butanal, 2-methyl-, and 2-Formylbutane.
In which organisms is 2-methylbutyraldehyde found as a natural product?
2-methylbutyraldehyde is found as a natural product in Coffea arabica, Carica papaya, and other organisms.
What is the IUPAC name of 2-methylbutyraldehyde?
The IUPAC name of 2-methylbutyraldehyde is 2-methylbutanal.
What is the Canonical SMILES of 2-methylbutyraldehyde?
The Canonical SMILES of 2-methylbutyraldehyde is CCC(C)C=O.
What is the CAS number of 2-methylbutyraldehyde?
The CAS number of 2-methylbutyraldehyde is 96-17-3.
What is the UNII of 2-methylbutyraldehyde?
The UNII of 2-methylbutyraldehyde is 47H597M1YY.
What is the FEMA number of 2-methylbutyraldehyde?
The FEMA number of 2-methylbutyraldehyde is 2691.
What is the XLogP3-AA value of 2-methylbutyraldehyde?
The XLogP3-AA value of 2-methylbutyraldehyde is 1.1.
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