Description

2-Ethyl-3-propylacrolein (CAS No. 645-62-5) is a high-purity unsaturated aldehyde with the molecular formula C₈H₁₄O. This compound, also known as 2-Ethyl-2-hexenal, is a versatile intermediate widely used in organic synthesis, fragrance formulations, and specialty chemical production. Its α,β-unsaturated carbonyl structure makes it a valuable building block for Michael additions, condensation reactions, and polymer modifications. Our product is rigorously tested to ensure >98% purity (GC), with stringent controls for peroxides and other impurities. Supplied in amber glass bottles or nitrogen-purged drums to prevent degradation, it is ideal for researchers requiring consistent reactivity in fine chemical synthesis, flavor/aroma studies, or material science applications.

Properties

• CAS Number: 645-62-5
• Complexity: 103
• IUPAC Name: (E)-2-ethylhex-2-enal
• InChI: InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+
• InChI Key: PYLMCYQHBRSDND-SOFGYWHQSA-N
• Exact Mass: 126.104465066
• Molecular Formula: C8H14O
• Molecular Weight: 126.20
• SMILES: CCC/C=C(CC)/C=O
• Topological: 17.1
• Monoisotopic Mass: 126.104465066
• Physical Description: 2-ethyl-3-propylacrolein is a yellow liquid. Floats on water.
• Color/Form: COLORLESS LIQUID
• Odor: SHARP, POWERFUL IRRITATING ODOR
• Boiling Point: 347 °F at 760 mmHg
• Flash Point: 155 °F
• Solubility: less than 1 mg/mL at 70 °F
• Density: 0.857 at 59 °F – Less dense than water; will float
• Vapor Density: 4.35 – Heavier than air; will sink
• Vapor Pressure: 1 mmHg at 68 °F
• Autoignition Temperature: 392 °F
• Viscosity: 0.113 CENTIPOISE AT 20 °C
• Heat of Combustion: -15,610 BTU/LB= -8670 CAL/G= -363X10+5 JOULES/KG
• Surface Tension: 28.2 DYNES/CM= 0.0282 NEWTONS/M AT 20 °C
• Synonyms: 2-Ethyl-2-hexenal, 645-62-5, (E)-2-ethylhex-2-enal, 2-Hexenal, 2-ethyl-, 2-ETHYL-3-PROPYLACROLEIN, 64344-45-2, (E)-2-Ethyl-2-hexenal, 2-Ethyl-2-hexen-1-al, Ethyl-2-hexenal, trans-2-Ethyl-2-hexenal, (2E)-2-ethylhex-2-enal, (2E)-2-Ethyl-2-hexenal, Acrolein, 2-ethyl-3-propyl-, CCRIS 4645, 2-Ethyl-3-propyl acrolein, 2-Hexenal, 2-ethyl-, (2E)-, Hexenal, 2-ethyl-, 2-Ethyl-3-propylacrylaldehyde, alpha-Ethyl-beta-propylacrolein, FEMA No. 4612, 2-Ethyl-2-hexenal, (2E)-, HSDB 1120, alpha-Ethyl-beta-N-propylacrolein, 2-Hexenal, 2-ethyl-, (E)-, NSC 4787, NSC-4787, .alpha.-Ethyl-.beta.-propylacrolein, EINECS 211-448-3, (E)-2-ethylhexenal, 3-Formylhept-3-ene, AI3-08105, 69YL9T443B, trans-2-ethylhex-2-enal, (E)-2-ethyl-3-propylacrolein, CHEBI:88838, (2E)-2-ethyl-3-propylacrolein, CHEBI:189405, EC 211-448-3, DTXCID605295, DTXSID4025296, 2Ethylhexenal, 2Ethyl2hexenal, 2Ethyl2hexen1al, 2Hexenal, 2ethyl, 26266-68-2, 2Ethyl3propylacrolein, 2Ethyl3propyl acrolein, alpha-Ethyl-2-hexenal, Acrolein, 2ethyl3propyl, ALPHA-ETHYLHEXENAL, 2Ethyl3propylacrylaldehyde, alphaEthylbetapropylacrolein, alphaEthylbetaNpropylacrolein, 2-ETHYLHEXEN-1-AL, DTXSID9025295, FEMA 4612, DTXCID601323308, CKB 1364, 247-571-4, inchi=1/c8h14o/c1-3-5-6-8(4-2)7-9/h6-7h,3-5h2,1-2h3/b8-6, MFCD00006983, 2-Ethylhex-2-en-1-al, UNII-69YL9T443B, e-2-ethylhexenal, .alpha.-Ethyl-.beta.-N-propylacrolein, (E)-2-ethyl-hex-2-enal, WLN: VHY2&U4, SCHEMBL366896, SCHEMBL4144615, 2-Ethyl-2-hexenal, AldrichCPR, NSC4787, SBB008156, AKOS006227765, AS-77084, NS00008081, ST50828299, D90438, EN300-6452603, Q27887011

2-Ethyl-3-propylacrolein serves as a key intermediate in the synthesis of fragrances, contributing green, fruity notes to perfumery compositions. In agrochemical research, it acts as a precursor for plant growth regulators and pesticidal agents. The compound’s conjugated system enables its use in polymer crosslinking and as a reactive diluent in specialty coatings. Its electrophilic β-carbon participates efficiently in nucleophilic additions, making it valuable for heterocycle synthesis.

Safety and Hazards

GHS Hazard Statements

• H315 (99.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (89.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (10%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• H412 (82.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Skin Sens. 1 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)
• Carc. 1B (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.