Butyraldehyde

Butyraldehyde^[1]
Structural formula of butyraldehyde	Flat structure
	Ball-and-stick model
Names
	Preferred IUPAC name Butanal
	Other names Butyraldehyde
Identifiers
CAS Number	123-72-8 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:15743 ;
ChEMBL	ChEMBL1478334;
ChemSpider	256 ;
ECHA InfoCard	100.004.225
EC Number	204-646-6;
KEGG	C01412 ;
PubChem CID	261;
RTECS number	ES2275000;
UNII	H21352682A ;
UN number	1129
CompTox Dashboard (EPA)	DTXSID8021513 ;
	InChI InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 Key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N ; InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 Key: ZTQSAGDEMFDKMZ-UHFFFAOYAZ;
	SMILES O=CCCC;
Properties
Chemical formula	C4H8O
Molar mass	72.107 g·mol−1
Appearance	Colorless liquid
Odor	Pungent, aldehyde odor
Density	0.8016 g/mL
Melting point	−96.86 °C (−142.35 °F; 176.29 K)
Boiling point	74.8 °C (166.6 °F; 347.9 K)
Critical point (T, P)	537 K (264 °C),; 4.32 MPa (42.6 atm)
Solubility in water	7.6 g/100 mL (20 °C)
Solubility	Miscible with organic solvents
log P	0.88
Magnetic susceptibility (χ)	−46.08·10−6 cm3/mol
Refractive index (nD)	1.3766
Viscosity	0.45 cP (20 °C)
Dipole moment	2.72 D
Thermochemistry
Heat capacity (C)	163.7 J·mol−1·K−1 (liquid) ; 103.4 J·mol−1·K−1 (gas)
Std molar; entropy (S⦵298)	246.6 J·mol−1·K−1 (liquid) ; 343.7 J·mol−1·K−1 (gas)
Std enthalpy of; formation (ΔfH⦵298)	−239.2 kJ·mol−1 (liquid) ; −204.8 kJ·mol−1 (gas)
Std enthalpy of; combustion (ΔcH⦵298)	2470.34 kJ·mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H319
Precautionary statements	P210, P280, P302+P352, P304+P340, P305+P351+P338
NFPA 704 (fire diamond)	3 3 0
Flash point	−7 °C (19 °F; 266 K)
Autoignition; temperature	230 °C (446 °F; 503 K)
Explosive limits	1.9–12.5%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	2490 mg/kg (rat, oral)
Safety data sheet (SDS)	Sigma-Aldrich
Related compounds
Related aldehyde	Propionaldehyde; Pentanal
Related compounds	Butan-1-ol; Butyric acid, isobutyraldehyde
	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

Butyraldehyde, also known as butanal, is an organic compound with the formula CH₃(CH₂)₂CHO. This compound is the aldehyde derivative of butane. It is a colorless flammable liquid with an unpleasant smell. It is miscible with most organic solvents.

^ Merck Index, 11th Edition, 1591.
^ CRC handbook of chemistry and physics : a ready-reference book of chemical and physical data. William M. Haynes, David R. Lide, Thomas J. Bruno (2016-2017, 97th ed.). Boca Raton, Florida. 2016. ISBN 978-1-4987-5428-6. OCLC 930681942.{{cite book}}: CS1 maint: location missing publisher (link) CS1 maint: others (link)
^ ^a ^b ^c Record of Butyraldehyde in the GESTIS Substance Database of the Institute for Occupational Safety and Health, accessed on 13 March 2020.

[1] Merck Index, 11th Edition, 1591.

[CRC97-2] CRC handbook of chemistry and physics : a ready-reference book of chemical and physical data. William M. Haynes, David R. Lide, Thomas J. Bruno (2016-2017, 97th ed.). Boca Raton, Florida. 2016. ISBN 978-1-4987-5428-6. OCLC 930681942.{{cite book}}: CS1 maint: location missing publisher (link) CS1 maint: others (link)

[GESTIS-3] Record of Butyraldehyde in the GESTIS Substance Database of the Institute for Occupational Safety and Health, accessed on 13 March 2020.

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