巴豆醛

Description

Crotonaldehyde · CAS 123-73-9 · C4H6O. UNII 6PUW625907. Boiling Point: 219 °F at 760 mmHg (EPA, 1998); Boiling Point: 219.2 °F at 760 mmHg (EPA, 1998); Boiling Point: 102.2 °C.

Identification

CAS Registry Number	123-73-9
PubChem CID	447466
Molecular formula	C4H6O
IUPAC name	(E)-but-2-enal
UNII (FDA)	6PUW625907

Computed Descriptors

Molecular Weight	70.09
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	70.041864811
Monoisotopic Mass	70.041864811
Topological Polar Surface Area	17.1
Heavy Atom Count	5
Formal Charge	0

Physical & Chemical Properties

Boiling Point	219 °F at 760 mmHg (EPA, 1998)
Boiling Point	219.2 °F at 760 mmHg (EPA, 1998)
Boiling Point	102.2 °C
Boiling Point	104.00 °C. @ 760.00 mm Hg
Boiling Point	104 °C
Boiling Point	219 °F
Boiling Point	102.2 °C @760 [mm Hg]
Melting Point	-105 °F (EPA, 1998)
Melting Point	-101 °F (EPA, 1998)
Melting Point	-69 °C

Physical description & handling notes

• Crotonaldehyde, stabilized appears as a clear colorless to straw colored liquid with a penetrating pungent odor. Flash point 55 °F. Density 7.1 lb / gal. Very toxic by inhalation. May polymerize with the release of heat under exposure to heat or contamination. If polymerization takes place inside a container, the container may rupture violently. Less dense than water. Vapors heavier than air.
• (e)-crotonaldehyde is a water-white to straw-colored liquid with a pungent, suffocating odor. Used as a chemical intermediate in a variety of industrial processes (surfactants, textiles, paper, fuels, insecticides, leather tanning, etc.). Used in chemical warfare. (EPA, 1998)
• Liquid
• Water-white liquid with a suffocating odor; Note: Turns pale-yellow on contact with air; [NIOSH]
• Water-white liquid with a pungent suffocating odor; [HSDB]
• COLOURLESS LIQUID WITH PUNGENT ODOUR. TURNS PALE YELLOW ON EXPOSURE TO LIGHT AND AIR.

GHS Hazard Classification

Reported hazard statements	H225, H301, H311, H315, H318, H330, H335, H341

Documented Uses

• Used in the synthesis of other organic chemicals; [ACGIH]
• Used to make other chemicals (n-butyl alcohol, quinaldine, crotonic acid, 2-ethylhexyl alcohol, butyraldehyde, surface-active agents, resins, rubber antioxidants, textile and paper sizes, insecticides, and flavoring agents); Also used as a fuel-gas warning agent, solvent for polyvinyl chloride and purification of mineral oils, alcohol denaturant, leather tanning agent, to locate breaks and leaks in pipes, and in chemical warfare; [HSDB]
• Petroleum Production and Refining [Category: Industry]
• Leather Tanning and Processing [Category: Industry]
• Crotonaldehyde was formerly used in the manufacture of n-butanol, but currently, the most extensive use of crotonaldehyde is in the manufacture of sorbic acid. Crotonaldehyde has also been used as a warning agent in fuel gases, in the preparation of rubber accelerators, in leather tanning, as an alcohol denaturant, and as a stabilizer for tetraethyl-lead.
• Manufacture of butyl alcohol, butyraldehyde, methoxybutyraldehyde, sorbic acid, maleic acid, crotonic acid, crotyl alcohol. In polymer chemistry: manufacture of resins and polyvinyl acetals, solvent for polyvinyl chloride, rubber antioxidant, increases rubber strength with ketones. In prepatation of insecticides and fertilizers. In production of flavors.

Synonyms

CROTONALDEHYDE; 2-Butenal; Crotonal; Crotylaldehyde; (E)-but-2-enal; (2E)-but-2-enal; Crotonic aldehyde; Methylpropenal; 1-Formylpropene; beta-Methylacrolein; Propylene aldehyde; 2-Butenaldehyde; Krotonaldehyd; beta-Methyl acrolein; 4170-30-3; RCRA waste number U053

Frequently Asked Questions

What are the CAS number and molecular formula of Crotonaldehyde?

CAS 123-73-9; molecular formula C4H6O; molecular weight — g/mol.

What other names is Crotonaldehyde known by?

CROTONALDEHYDE, 2-Butenal, Crotonal, Crotylaldehyde, (E)-but-2-enal, (2E)-but-2-enal.

Is Crotonaldehyde classified as hazardous?

Hazard statements reported: H225, H301, H311, H315, H318.

What are the key physical properties of Crotonaldehyde?

Boiling Point: 219 °F at 760 mmHg (EPA, 1998); Boiling Point: 219.2 °F at 760 mmHg (EPA, 1998); Boiling Point: 102.2 °C; Boiling Point: 104.00 °C. @ 760.00 mm Hg.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.