1-Methoxyacetone

Names

[ CAS No. ]:
5878-19-3

[ Name ]:
1-Methoxyacetone

[Synonym ]:
MFCD00008768
1-Methoxyacetone
EINECS 227-549-0
1-methoxypropan-2-one
2-Propanone, 1-methoxy-

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
118.9±13.0 °C at 760 mmHg

[ Melting Point ]:
78ºC

[ Molecular Formula ]:
C₄H₈O₂

[ Molecular Weight ]:
88.105

[ Flash Point ]:
25.0±0.0 °C

[ Exact Mass ]:
88.052429

[ PSA ]:
26.30000

[ LogP ]:
-0.53

[ Vapour Pressure ]:
16.3±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.373

[ Storage condition ]:
Flammables area

[ Water Solubility ]:
miscible

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UC2988600

CHEMICAL NAME :: 2-Propanone, 1-methoxy-

CAS REGISTRY NUMBER :: 5878-19-3

BEILSTEIN REFERENCE NO. :: 1560175

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C4-H8-O2

MOLECULAR WEIGHT :: 88.12

WISWESSER LINE NOTATION :: 1V1O1

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: -,704,1986

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: -,704,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8980 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 :: 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

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

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ 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;F: Flammable;

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S16-S29-S33

[ RIDADR ]:
UN 1224 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
UC2988600

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2914509090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2914509090

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Protonation thermochemistry of selected hydroxy- and methoxycarbonyl molecules.

J. Phys. Chem. A 109(51) , 11851-9, (2005)

The gas-phase basicities of a representative set of hydroxy- and methoxycarbonyl compounds (hydroxyacetone, 1, 3-hydroxybutanone, 2, 3-hydroxy-3-methylbutanone, 3, 1-hydroxy-2-butanone, 4, 4-hydroxy-2...

Mechanism of the double aldol reaction: the first spectroscopic characterization of a carbon-bound boron enolate derived from carboxylic esters.

J. Am. Chem. Soc. 124(36) , 10759-64, (2002)

The novel doubly borylated enolate is identified as an intermediate of the double aldol reaction of acetate esters. As a precursor to the formation of the doubly borylated enolate, carbon-bound boron ...