262668

Crotonaldehyde, predominantly trans

≥99%, contains 0.1-0.2% BHT as stabilizer, 1% H₂O as stabilizer

• Synonym(s): (2E)-2-Butenal, (E)-But-2-en-1-al, 2(E)-Butenal, trans-2-Buten-1-al, trans-2-Butenal, trans-Crotonal
• Linear Formula: CH₃CH=CHCHO
• CAS Number: 123-73-9
• Molecular Weight: 70.09
• MDL number: MFCD00007003
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855882
• NACRES: NA.22

Properties

• vapor density: 2.41 (vs air)
• vapor pressure: 32 mmHg ( 20 °C)
• Assay: ≥99%
• form: liquid
• autoignition temp.: 320 °F
• contains: 0.1-0.2% BHT as stabilizer; 1% H₂O as stabilizer
• expl. lim.: 19.5 %
• refractive index: n20/D 1.4362 (lit.)
• bp: 104 °C (lit.)
• mp: −76 °C (lit.)
• solubility: water: soluble 425.4 g/L at 20 °C
• density: 0.846 g/mL at 25 °C (lit.)
• functional group: aldehyde
• storage temp.: 2-8°C
• SMILES string: [H]\C(C)=C(\[H])C([H])=O
• InChI: 1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
• InChI key: MLUCVPSAIODCQM-NSCUHMNNSA-N

Description

General description

Rate coefficients for the reaction of crotonaldehyde with chlorine atoms have been determined. Reaction of crotonaldehyde with DNA has been investigated.

Application

• Crotonaldehyde (Cis and Trans): Discusses the production and properties of crotonaldehyde, including trans isomer, via aldol condensation of acetaldehyde and catalytic methods (Grant & Jenkins, 2015).
• Modeling, simulation and analysis of a process for the production of crotonaldehyde: Analyzes the production of crotonaldehyde, highlighting the stereoisomeric forms, including trans-crotonaldehyde (Scheithauer et al., 2016).

Safety Information

• Pictograms: GHS02,GHS06,GHS08,GHS05,GHS09
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311,H315,H318,H330,H335,H341,H373,H400
• Precautionary Statements: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Acute 1 - Eye Dam. 1 - Flam. Liq. 2 - Muta. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 48.2 °F - closed cup
• Flash Point(C): 9 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves