CAS 625-33-2|3-Penten-2-one

Introduction：Basic information about CAS 625-33-2|3-Penten-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles4
7. Synonyms

Common Name	3-Penten-2-one
CAS Number	625-33-2	Molecular Weight	84.116
Density	0.8±0.1 g/cm3	Boiling Point	122.0±0.0 °C at 760 mmHg
Molecular Formula	C₅H₈O	Melting Point	/
MSDS	ChineseUSA	Flash Point	21.1±0.0 °C
Symbol	GHS02, GHS06	Signal Word	Danger

Names

Name	3-penten-2-one
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	122.0±0.0 °C at 760 mmHg
Molecular Formula	C₅H₈O
Molecular Weight	84.116
Flash Point	21.1±0.0 °C
Exact Mass	84.057518
PSA	17.07000
LogP	0.56
Vapour Pressure	14.2±0.2 mmHg at 25°C
Index of Refraction	1.411
InChIKey	LABTWGUMFABVFG-ONEGZZNKSA-N
SMILES	CC=CC(C)=O
Storage condition	2-8°C
Stability	Stable. Flammable. Incompatible with strong oxidizing and strong reducing agents, strong acids, strong bases.
Water Solubility	Slightly soluble in Water

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SB3850000

CHEMICAL NAME :: 3-Penten-2-one

CAS REGISTRY NUMBER :: 625-33-2

BEILSTEIN REFERENCE NO. :: 1633505

LAST UPDATED :: 199806

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C5-H8-O

MOLECULAR WEIGHT :: 84.13

WISWESSER LINE NOTATION :: 2U1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,343,1949

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 500 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948

Safety Information

Symbol	GHS02, GHS06
Signal Word	Danger
Hazard Statements	H225-H311-H315-H319-H335
Precautionary Statements	P210-P261-P280-P305 + P351 + P338-P312
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	F;Xn
Risk Phrases	R10;R20/21;R36/37
Safety Phrases	S16-S23-S26-S36/37/39
RIDADR	UN 1992
WGK Germany	3
RTECS	SB3850000
Packaging Group	II
Hazard Class	3
HS Code	2914190090

Customs

HS Code	2914190090
Summary	2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles4

Characterization of Aronia melanocarpa volatiles by headspace-solid-phase microextraction (HS-SPME), simultaneous distillation/extraction (SDE), and gas chromatography-olfactometry (GC-O) methods.

J. Agric. Food Chem. 61(20) , 4728-36, (2013)

The profiles of volatile constituents of berry fruit of two Aronia melanocarpa genotypes were evaluated by headspace-solid-phase microextraction (HS-SPME), simultaneous distillation and extraction (SD...

Conjugate addition of lithiated methyl pyridines to enones.

J. Org. Chem. 75(16) , 5737-9, (2010)

Preparatively useful conjugate addition of lithiated methyl pyridines to cyclic and acyclic enones is reported. Addition of 2-picoline to 3-penten-2-one led to a concise synthesis of the alkaloids (+/...

3-Penten-2-one, a novel aldehyde adduct, is a biomarker for increased acetaldehyde in urine.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 877(8-9) , 784-90, (2009)

Diagnostic profiling of urine for volatile compounds of around 400 patients using headspace solid-phase microextraction (HS-SPME) in alkaline conditions identified 3-penten-2-one (approximately 1 to >...

Synonyms

MFCD00009290

2-Oxo-3-pentene

Methyl propenyl ketone

3-pentane-2-one

3-PENTENE-2-ONE

Pent-3-en-2-one

2-Penten-4-one

3-Penten-2-one

ethylideneacetone

FEMA 3417

methyl 1-propenyl ketone

pent-3-ene-2-one

EINECS 210-888-3

1-propenyl methyl ketone

Ethylidene acetone

Recommended......