3-Pentanone

Names

[ CAS No. ]:
96-22-0

[ Name ]:
3-Pentanone

[Synonym ]:
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

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

[ 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)

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

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