2-Methylbutyraldehyde - CAS 96-17-3

Catalog:	BB041955
Product Name:	2-Methylbutyraldehyde
CAS:	96-17-3
Synonyms:	2-(Benzyloxy)benzaldehyde; Butanal, 2-methyl-; Butyraldehyde, 2-methyl-; Butyraldehyde, α-methyl-; (RS)-2-Methylbutanal; (±)-2-Methylbutanal; (±)-2-Methylbutyraldehyde; 2-Ethylpropanal; 2-Formylbutane; 2-Methylbutyric aldehyde; NSC 77077; α-Methyl-n-butanal; α-Methylbutanal; α-Methylbutyraldehyde; α-Methylbutyric aldehyde

Technical Data

Related CAS:	57456-98-1 (Deleted CAS)
IUPAC Name:	2-methylbutanal
Description:	2-(Benzyloxy)benzaldehyde can be used as comprising a bioactive agent.
Molecular Weight:	86.13
Molecular Formula:	C5H10O
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:	92-93°C
Melting Point:	-60°C
Flash Point:	4°C
Purity:	≥95%
Density:	0.8131 g/cm3
Solubility:	Soluble in Chloroform, Methanol
Appearance:	Colorless to pale yellow liquid
Storage:	Store at 2-8°C
MDL:	MFCD00006984
LogP:	1.23140
Refractive Index:	1.388 : 1.393 at 20 deg C
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	47.4 [mmHg]

GHS Hazard Statement:	H225 (99.94%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P333+P313, P337+P313, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

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Complexity:	41.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	86.073164938
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	86.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1