Benzaldehyde

Benzaldehyde
Names
	IUPAC name Benzenecarbaldehyde
	Preferred IUPAC name Benzaldehyde
	Other names Benzenecarboxaldehyde; Phenylmethanal; Benzoic aldehyde
Identifiers
CAS Number	100-52-7 ;
3D model (JSmol)	Interactive image; Interactive image;
ChEBI	CHEBI:17169 ;
ChEMBL	ChEMBL15972 ;
ChemSpider	235 ;
ECHA InfoCard	100.002.601
EC Number	202-860-4;
KEGG	D02314 ;
PubChem CID	240;
RTECS number	CU437500;
UNII	TA269SD04T ;
UN number	1990
CompTox Dashboard (EPA)	DTXSID8039241 ;
	InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H Key: HUMNYLRZRPPJDN-UHFFFAOYSA-N ; InChI=1/C7H6CHO/c8-6-7-4-2-1-3-5-7/h1-6H Key: HUMNYLRZRPPJDN-UHFFFAOYAE;
	SMILES O=Cc1ccccc1; c1ccc(cc1)C=O;
Properties
Chemical formula	C7H6O
Molar mass	106.124 g·mol−1
Appearance	colorless liquid ; strongly refractive
Odor	almond-like
Density	1.044 g/mL, liquid
Melting point	−57.12 °C (−70.82 °F; 216.03 K)
Boiling point	178.1 °C (352.6 °F; 451.2 K)
Solubility in water	6.95 g/L (25 °C)
log P	1.64
Magnetic susceptibility (χ)	−60.78·10−6 cm3/mol
Refractive index (nD)	1.5456
Viscosity	1.321 cP (25 °C)
Thermochemistry
Std enthalpy of; formation (ΔfH⦵298)	−36.8 kJ/mol
Std enthalpy of; combustion (ΔcH⦵298)	−3525.1 kJ/mol
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302
Precautionary statements	P264, P270, P301+P312, P330, P501
NFPA 704 (fire diamond)	2 2 0
Flash point	64 °C (147 °F; 337 K)
Autoignition; temperature	192 °C (378 °F; 465 K)
Explosive limits	1.4–8.5%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	1300 mg/kg (rat, oral)
Safety data sheet (SDS)	J. T. Baker
Related compounds
Related compounds	Benzyl alcohol; Benzoic acid; Benzaldehyde oxime
	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

Benzaldehyde (C₆H₅CHO) is an organic compound consisting of a benzene ring with a formyl substituent. It is among the simplest aromatic aldehydes and one of the most industrially useful.

It is a colorless liquid with a characteristic odor similar to that of bitter almonds and cherry, and is commonly used in cherry-flavored sodas.^[5] A component of bitter almond oil, benzaldehyde can be extracted from a number of other natural sources.^[6] Synthetic benzaldehyde is the flavoring agent in imitation almond extract, which is used to flavor cakes and other baked goods.^[7]

^ Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 908. doi:10.1039/9781849733069-FP001. ISBN 978-0-85404-182-4.
^ Haynes, William M. (2014), CRC Handbook of Chemistry and Physics (95th ed.), CRC press, pp. 3–34, ISBN 9781482208689
^ "GESTIS Substance database". Institute for Occupational Safety and Health of the German Social Accident Insurance. Archived from the original on 3 March 2016. Retrieved 21 August 2012.
^ "Benzaldehyde_msds".
^ Loch, Christine; Reusch, Helmut; Ruge, Ingrid; Godelmann, Rolf; Pflaum, Tabea; Kuballa, Thomas; Schumacher, Sandra; Lachenmeier, Dirk W. (2016). "Benzaldehyde in cherry flavour as a precursor of benzene formation in beverages". Food Chemistry. 206: 74–77. doi:10.1016/j.foodchem.2016.03.034. PMID 27041300.
^ Cite error: The named reference Ullmann was invoked but never defined (see the help page).
^ The Cook's Illustrated Baking Book. America's Test Kitchen. 2013. ISBN 9781936493784.

[iupac2013-1] Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 908. doi:10.1039/9781849733069-FP001. ISBN 978-0-85404-182-4.

[2] Haynes, William M. (2014), CRC Handbook of Chemistry and Physics (95th ed.), CRC press, pp. 3–34, ISBN 9781482208689

[3] "GESTIS Substance database". Institute for Occupational Safety and Health of the German Social Accident Insurance. Archived from the original on 3 March 2016. Retrieved 21 August 2012.

[chemsrc-4] "Benzaldehyde_msds".

[5] Loch, Christine; Reusch, Helmut; Ruge, Ingrid; Godelmann, Rolf; Pflaum, Tabea; Kuballa, Thomas; Schumacher, Sandra; Lachenmeier, Dirk W. (2016). "Benzaldehyde in cherry flavour as a precursor of benzene formation in beverages". Food Chemistry. 206: 74–77. doi:10.1016/j.foodchem.2016.03.034. PMID 27041300.

[Ullmann-6] Cite error: The named reference Ullmann was invoked but never defined (see the help page).

[7] The Cook's Illustrated Baking Book. America's Test Kitchen. 2013. ISBN 9781936493784.

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