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3-Heptanone, 5-methyl-
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Name

3-Heptanone, 5-methyl-

 EINECS 208-793-7
CAS No. 541-85-5 Density 0.811g/cm3
PSA 17.07000 LogP 2.40170
Solubility 1.92g/L at 19.9℃ Melting Point -56.65°C
Formula C8H16 O Boiling Point 159.9°Cat760mmHg
Molecular Weight 128.214 Flash Point 43.9°C
Transport Information N/A Appearance CLEAR LIGHT YELLOW LIQUID
Safety Moderately irritating to skin, eyes, and mucous membranes by inhalation and ingestion. Narcotic in high concentration. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke. To fight fire, use foam, CO2, dry chemical. See also KETONES.

Analytical Methods:

   

For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.

Risk Codes 10-36/37
Molecular Structure Molecular Structure of 541-85-5 (5-METHYL-3-HEPTANONE) Hazard Symbols Narcotic in high concentration. Moderate fire risk. TLV: 25 ppm.
Synonyms

(?à)-5-Methyl-3-heptanone;2-Methylbutyl ethyl ketone;3-Methyl-5-heptanone;5-Methyl-3-heptanone;Ethyl2-methylbutyl ketone;NSC 100734;

Article Data 25

3-Heptanone, 5-methyl- Synthetic route

133619-41-7, 133619-45-1

C8H16OS

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
Ambient temperature;100%
925-90-6

ethylmagnesium bromide

Methyl N-phenylcrotonimidate

A

541-85-5

5-methyl-3-heptanone

B

N,N'-diphenyl-7-methyl-4-(1-methylpropyl)-3,5-nonanediimine

Conditions
ConditionsYield
A n/a
B 75%
In diethyl ether at 0℃; for 4.5h;A 18%
B 75%
78-92-2, 15892-23-6

iso-butanol

A

18720-65-5

5-methyl-3-heptanol

B

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
In o-xylene at 144℃; for 24h;A 14%
B 60%
3018-30-2

5-methyl-hepta-1,4-dien-3-one

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
With platinum Hydrogenation;
18830-90-5

3-oxo-5-methyl-1-heptene

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
With platinum Hydrogenation;
18720-65-5

5-methyl-3-heptanol

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
With potassium dichromate; sulfuric acid
With pyridine; chlorine In chloroform
1447-26-3

5-methyl-4-hepten-3-one

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
With platinum Hydrogenation;
67-63-0

isopropyl alcohol

78-93-3

butanone

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
With aluminum oxide; copper(II) oxide; zinc(II) oxide at 274 - 280℃; under 14710.2 Torr;
78-93-3

butanone

78-92-2, 15892-23-6

iso-butanol

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
With aluminum oxide; copper oxide-aluminium oxide at 285℃; under 12503.6 Torr;
78-93-3

butanone

541-85-5

5-methyl-3-heptanone

Conditions
ConditionsYield
With barium(II) oxide durch Reduktion des entstehenden 'Homomesityloxyds' mit Wasserstoff in Gegenwart von Platinoxyd in Alkohol unter Druck;
With hydrogen In water at 349.84℃; under 3750.38 Torr; Autoclave;

3-Heptanone, 5-methyl- Consensus Reports

Reported in EPA TSCA Inventory.

3-Heptanone, 5-methyl- Standards and Recommendations

OSHA PEL: TWA 25 ppm
ACGIH TLV: TWA 25 ppm
DOT Classification:  3; Label: Flammable Liquid

3-Heptanone, 5-methyl- Analytical Methods

For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.

3-Heptanone, 5-methyl- Specification

1. Introduction of 3-Heptanone, 5-methyl-
3-Heptanone, 5-methyl- is colorless liquid with a pungent odor. The IUPAC NAME of it is 5-Methylheptan-3-one.

2. Properties of 3-Heptanone, 5-methyl-
RTECS: MJ7350000
Molecular Formula: C8H16O
Molecular Weight: 128.21 g/mol
Density: 0.811 g/cm3 
Flash Point: 43.9 °C
Boiling Point: 159.9 °C at 760 mmHg 
The chemical synonymous of Ethyl amyl ketone (541-85-5) are 2-Methylbutylethylketone ; 3-Heptanone,5-methyl- ; 5-methyl-3-heptanon ; 5-Methylheptan-3-one ; 5-Methylheptan-3-one ; 5-Methylheptanone-(3) ; Ethyl Sec-Amyl Ketone ; Ethylsec-amylketone

3. Structure Descriptors of 3-Heptanone, 5-methyl-
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3 
InChIKey: PSBKJPTZCVYXSD-UHFFFAOYSA-

4. Toxicity of 3-Heptanone, 5-methyl-

1.    

skn-rbt 500 mg MLD

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
2.    

orl-rat LD50:3500 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
3.    

ihl-rat LCLo:3484 ppm/8H

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
4.    

orl-mus LD50:3800 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
5.    

ihl-mus LCLo:3484 ppm/4H

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
6.    

orl-gpg LD50:2500 mg/kg

     BCPCA6    Biochemical Pharmacology. 16 (1967),631.
5. Safety Information of 3-Heptanone, 5-methyl-
Moderately irritating to skin, eyes, and mucous membranes by inhalation and ingestion. Narcotic in high concentration. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke. To fight fire, use foam, CO2, dry chemical. See also KETONES.
Hazard Codes:Xi: Irritant 
Risk Statements about 3-Heptanone, 5-methyl-:
R10 Flammable.
R36/37: Irritating to eyes and respiratory system.
Safety Statements:
S23 Do not breathe vapour.

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