CAS 96-22-0|3-Pentanone

Introduction：Basic information about CAS 96-22-0|3-Pentanone, 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
MUTATION DATA
4. Safety Information
5. Customs
6. Articles14
7. Synonyms

Common Name	3-Pentanone
CAS Number	96-22-0	Molecular Weight	86.132
Density	0.8±0.1 g/cm3	Boiling Point	101.0±3.0 °C at 760 mmHg
Molecular Formula	C₅H₁₀O	Melting Point	-40 °C
MSDS	ChineseUSA	Flash Point	12.8±0.0 °C
Symbol	GHS02, GHS07	Signal Word	Danger

Names

Name	pentan-3-one
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	101.0±3.0 °C at 760 mmHg
Melting Point	-40 °C
Molecular Formula	C₅H₁₀O
Molecular Weight	86.132
Flash Point	12.8±0.0 °C
Exact Mass	86.073166
PSA	17.07000
LogP	0.90
Vapour density	3 (vs air)
Vapour Pressure	35.8±0.2 mmHg at 25°C
Index of Refraction	1.383
InChIKey	FDPIMTJIUBPUKL-UHFFFAOYSA-N
SMILES	CCC(=O)CC
Stability	Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.
Water Solubility	50 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA8050000

CHEMICAL NAME :: 3-Pentanone

CAS REGISTRY NUMBER :: 96-22-0

LAST UPDATED :: 199806

DATA ITEMS CITED :: 26

MOLECULAR FORMULA :: C5-H10-O

MOLECULAR WEIGHT :: 86.15

WISWESSER LINE NOTATION :: 2V2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2140 mg/kg

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

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8000 ppm/4H

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1250 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3100 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - ataxia

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 513 mg/kg

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 mL/kg

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

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 149,339,1985 *** REVIEWS *** ACGIH TLV-TWA 705 mg/m3 (200 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-BELGIUM:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-DENMARK:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-FRANCE:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 200 ppm (700 mg/m3);STEL 250 ppm JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO DIETHYL KETONE-air:10H TWA 200 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

Safety Information

Symbol	GHS02, GHS07
Signal Word	Danger
Hazard Statements	H225-H319-H335-H336
Supplemental HS	Repeated exposure may cause skin dryness or cracking.
Precautionary Statements	P210-P305 + P351 + P338-P370 + P378-P403 + P235
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	F:Flammable
Risk Phrases	R11;R37;R66;R67
Safety Phrases	S9-S16-S25-S33
RIDADR	UN 1156 3/PG 2
WGK Germany	1
RTECS	SA8050000
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%

Articles14

Effect of different chemical bonds in pegylation of zinc protoporphyrin that affects drug release, intracellular uptake, and therapeutic effect in the tumor.

Eur. J. Pharm. Biopharm. 89 , 259-70, (2015)

Pegylated zinc protoporphyrin (PEG-ZnPP) is a water-soluble inhibitor of heme oxygenase-1. In this study, we prepared two types of PEG-ZnPP conjugates with different chemical bonds between PEG and ZnP...

Bioremoval of diethylketone by the synergistic combination of microorganisms and clays: uptake, removal and kinetic studies.

Environ. Sci. Pollut. Res. Int. 20(3) , 1374-83, (2013)

The performance of two bacteria, Arthrobacter viscosus and Streptococcus equisimilis, and the effect of the interaction of these bacteria with four different clays on the retention of diethylketone we...

Anticonvulsant effects of methyl ethyl ketone and diethyl ketone in several types of mouse seizure models.

Eur. J. Pharmacol. 642(1-3) , 66-71, (2010)

The anticonvulsant effects of acetone have been reported in various animal models of epilepsy. We recently demonstrated that other ketone bodies, methyl ethyl ketone (MEK) and diethyl ketone (DEK), su...

Synonyms

dimethyl acetal of 3-hydroxyisovaleric aldehyde

PENTANONE (3-) (AKA DEK)

DIETHYL KETONE FOR SYNTHESIS

2-Butanol,4,4-dimethoxy-2-methyl

3-hydroxy-3-methylbutanal dimethyl acetal

dimethylacetal of 3-methyl-3-hydroxy butyraldehyde

EINECS 202-490-3

DIETHYL KETONE (3-PENTANONE)

ethyl ketone

3-PENTANON

DIETHYL KETONE

4,4-Dimethoxy-2-methyl-2-butanol

3-PENTANOL

diethylketone

3-hydroxy-isovaleraldehyde dimethyl acetal

3-Pentanone

3-PENTANONE/DIETHYL KETONE

3-hydroxy-isovaleraldehyd dimethyl acetale

MFCD00009320

dimethylacetone

3-hydroxyisovaleric aldehyde dimethyl acetal

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