4-Oxopentanal

CAS NO.：626-96-0
Empirical Formula: C5H8O2
Molecular Weight: 100.12
MDL number: MFCD12545900
SAFETY DATA SHEET (SDS)
Update Date: 2024-03-07 17:18:29

What is 4-Oxopentanal?

The Uses of 4-Oxopentanal

4-Oxopentanal is an intermediate used to prepare enantiopure sulfinimines. It is also used in the synthesis of 2-pyridinone derivatives as HIV-1-specific reverse transcriptase inhibitors.

Definition

ChEBI: 4-oxopentanal is a ketoaldehyde that is pentanal substituted by an oxo group at position 4. It has a role as a metabolite.

References

[1] STACEY E ANDERSON. Irritancy and allergic responses induced by exposure to the indoor air chemical 4-oxopentanal.[J]. Toxicological Sciences, 2012: 371-381. DOI:10.1093/toxsci/kfs102.
[2] P. FRUEKILDE. Ozonolysis at vegetation surfaces?: A source of acetone, 4-oxopentanal, 6-methyl-5-hepten-2-one, and geranyl acetone in the troposphere[J]. Atmospheric Environment, 1998, 32 1: 1893-1902. DOI:10.1016/S1352-2310(97)00485-8.
[3] AIONA P K, LEE H J J, LIN P, et al. A Role for 2-Methyl Pyrrole in the Browning of 4-Oxopentanal and Limonene Secondary Organic Aerosol.[J]. Environmental science & technology, 2017, 51 19: 11048-11056. DOI:10.1021/acs.est.7b02293.

Properties of 4-Oxopentanal

Boiling point:	127.55°C (rough estimate)
Density	1.0134
refractive index	1.4257
solubility	Chloroform (Slightly), Ethyl Acetate (Slightly)
form	Oil
color	Colourless to Pale Yellow
Stability:	Hygroscopic

Safety information for 4-Oxopentanal

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H225:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P362:Take off contaminated clothing and wash before reuse. P302+P352:IF ON SKIN: wash with plenty of soap and water. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..…

Computed Descriptors for 4-Oxopentanal

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