4-Heptanone

Modify Date: 2024-01-02 15:20:26

4-Heptanone Structure
4-Heptanone structure
Common Name 4-Heptanone
CAS Number 123-19-3 Molecular Weight 114.186
Density 0.8±0.1 g/cm3 Boiling Point 144.0±0.0 °C at 760 mmHg
Molecular Formula C7H14O Melting Point -33 °C
MSDS Chinese USA Flash Point 48.9±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 4-Heptanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.8±0.1 g/cm3
Boiling Point 144.0±0.0 °C at 760 mmHg
Melting Point -33 °C
Molecular Formula C7H14O
Molecular Weight 114.186
Flash Point 48.9±0.0 °C
Exact Mass 114.104462
PSA 17.07000
LogP 1.97
Vapour density 3.94 (vs air)
Vapour Pressure 5.2±0.2 mmHg at 25°C
Index of Refraction 1.404
Stability Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.
Water Solubility 4.6 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ5600000
CHEMICAL NAME :
4-Heptanone
CAS REGISTRY NUMBER :
123-19-3
BEILSTEIN REFERENCE NO. :
1699049
LAST UPDATED :
199712
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C7-H14-O
MOLECULAR WEIGHT :
114.21
WISWESSER LINE NOTATION :
3V3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,286,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,286,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3730 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2690 ppm/6H
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4764,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
271 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 37,56,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5660 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 gm/kg/3W-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571116
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
130 gm/kg/13W-I
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571116 *** REVIEWS *** ACGIH TLV-TWA 233 mg/m3 (50 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO DIPROPYL KETONE-air:10H TWA 50 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
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H332
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R10;R20
Safety Phrases S24/25
RIDADR UN 2710 3/PG 3
WGK Germany 2
RTECS MJ5600000
Packaging Group III
Hazard Class 3
HS Code 2914190090

 Synthetic Route

 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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 Synonyms

4-Oxoheptane
DI(N-PROPYL) KETONE
Dipropyl ketone
Di-n-propyl ketone
Pyrokohlensaeure-dipropylester
ketone, dipropyl
dicarbonic acid dipropyl ester
heptan-4-one
MFCD00009403
EINECS 204-608-9
Butyrone,Dipropyl ketone
di-n-propyl dicarbonate
dipropyl dicarbonate
4-Heptanone
Di-n-propylpyrocarbonat
heptane-4-one
Dikohlensaeure-dipropylester
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