2,4-dimethyl-3-pentanone

Names

[ CAS No. ]:
565-80-0

[ Name ]:
2,4-dimethyl-3-pentanone

[Synonym ]:
Dibenzothiophene,2,4-dimethyl
2,4-Dimethyl-3-pentanone
2,4-Dimethyldibenzothiophen
2,4-dimethyl-diethyl ketone
2,4-Me2-3-pentanone
EINECS 209-294-7
di-isopropyl ketone
MFCD00008918
2,4-dimethylpentan-3-one

Chemical & Physical Properties

[ Density]:
0.806 g/mL at 25 °C(lit.)

[ Boiling Point ]:
124 °C(lit.)

[ Melting Point ]:
-80 °C

[ Molecular Formula ]:
C₇H₁₄O

[ Molecular Weight ]:
114.18500

[ Flash Point ]:
60 °F

[ Exact Mass ]:
114.10400

[ PSA ]:
17.07000

[ LogP ]:
1.86750

[ Index of Refraction ]:
n20/D 1.400(lit.)

[ Storage condition ]:
Flammables area

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA8575500

CHEMICAL NAME :: 3-Pentanone, 2,4-dimethyl-

CAS REGISTRY NUMBER :: 565-80-0

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C7-H14-O

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 :: 3536 mg/kg

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

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0990-1062

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2765 ppm/6H

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

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0990-1062

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >16120 mg/kg

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

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0990-1062

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H332

[ Precautionary Statements ]:
P210

[ 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;Xn:Harmful;

[ Risk Phrases ]:
R11;R20

[ Safety Phrases ]:
S9-S16-S24/25

[ RIDADR ]:
UN 1224 3/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
SA8575500

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
29141990

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%

Articles

Ultraviolet photodissociation dynamics of the n-propyl and i-propyl radicals.

J. Chem. Phys. 142 , 224306, (2015)

Ultraviolet (UV) photodissociation dynamics of jet-cooled n-propyl (n-C3H7) radical via the 3s Rydberg state and i-propyl (i-C3H7) radical via the 3p Rydberg states are studied in the photolysis wavel...

Equilibrium ²H/¹H fractionations in organic molecules: I. Experimental calibration of ab initio calculations. Wang Y, et al.

Geochim. Cosmochim. Acta 73(23) , 7060-7075, (2009)

Hydroboration of acyclic allenes with disiamylborane. Sethi DS, et al.

Can. J. Chem. 47(6) , 1083-1086, (1969)