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96-22-0

96-22-0 structure
96-22-0 structure
Name pentan-3-one
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
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)

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
Symbol GHS02 GHS07
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
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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