Product Name

  • Name

    3-(Chloromethyl)heptane

  • EINECS 204-594-4
  • CAS No. 123-04-6
  • Article Data17
  • CAS DataBase
  • Density 0.863 g/cm3
  • Solubility 0.0503 g/L (20 ºC)
  • Melting Point -70 °C
  • Formula C8H17Cl
  • Boiling Point 173.426 °C at 760 mmHg
  • Molecular Weight 148.676
  • Flash Point 52.474 °C
  • Transport Information
  • Appearance Liquid
  • Safety 37/39-26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 123-04-6 (3-(Chloromethyl)heptane)
  • Hazard Symbols IrritantXi
  • Synonyms 1-Chloro-2-ethylhexane;2-Ethylhexyl chloride;3-(Chloromethyl)heptane;NSC 8883;
  • PSA 0.00000
  • LogP 3.44160

Synthetic route

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

Conditions
ConditionsYield
With hydrogenchloride; N-n-butylalkylpyridinium chlorides; mixture of at 135℃; for 22h; Product distribution / selectivity;99.3%
With chloro-trimethyl-silane; dimethyl sulfoxide for 0.166667h;92%
With pyridine; thionyl chloride at 0 - 55℃;89%
2-Ethylhexyl chloroformate
24468-13-1

2-Ethylhexyl chloroformate

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

Conditions
ConditionsYield
With N,N-dimethyl-formamide In chloroform at 72℃;86%
pyrographite
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

benzoyl chloride
98-88-4

benzoyl chloride

A

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

B

Velate 368
5444-75-7

Velate 368

Conditions
ConditionsYield
With 2,3-diethyl-2-cyclopropen-1-one In tert-butyl methyl ether at 60℃; for 24h; Catalytic behavior; Temperature;A 81%
B n/a
With 1-pyrrolidinecarboxaldehyde In 1,4-dioxane at 80℃; for 12h; Sealed tube; Green chemistry;A 52 %Spectr.
B 40 %Spectr.
...Expand
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

4-methoxy-benzoyl chloride
100-07-2

4-methoxy-benzoyl chloride

A

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

B

2-ethyl-1-hexyl 4-methoxybenzoate

2-ethyl-1-hexyl 4-methoxybenzoate

Conditions
ConditionsYield
With 2,3-diethyl-2-cyclopropen-1-one In tert-butyl methyl ether at 40℃; for 20h; chemoselective reaction;A 78%
B n/a
...Expand
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

A

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

B

(2-ethylhex-1-yl) formiate
5460-45-7

(2-ethylhex-1-yl) formiate

Conditions
ConditionsYield
With benzoyl chloride at 100℃; for 2.25h;A 65%
B n/a
...Expand
tris(2-ethylhexyl) phosphite
301-13-3

tris(2-ethylhexyl) phosphite

2-Chloro-N,N-diethylacetamide
2315-36-8

2-Chloro-N,N-diethylacetamide

A

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

B

bis(2-ethyl-1-hexyl) (N,N-diethylcarbamoylmethyl)phosphonate
66258-31-9

bis(2-ethyl-1-hexyl) (N,N-diethylcarbamoylmethyl)phosphonate

Conditions
ConditionsYield
at 165 - 170℃; under 160 - 200 Torr;A n/a
B 62.1%
...Expand
2,4-bis(biphenyl-4-yl)-6-((2,4-dihydroxy)phenyl)-1,3,5-triazine

2,4-bis(biphenyl-4-yl)-6-((2,4-dihydroxy)phenyl)-1,3,5-triazine

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

2-(2-hydroxy-4-(2-ethylhexyl)oxy)phenyl-4,6-bis(4-phenyl)phenyl-1,3,5-triazine
204583-39-1

2-(2-hydroxy-4-(2-ethylhexyl)oxy)phenyl-4,6-bis(4-phenyl)phenyl-1,3,5-triazine

Conditions
ConditionsYield
With tetrabutylammomium bromide; sodium hydroxide In n-heptane; water at 70 - 90℃; for 5h; Temperature;95.08%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

bis-(2-ethyl-hexyl)-tin (2+); dichloride
25430-97-1

bis-(2-ethyl-hexyl)-tin (2+); dichloride

Sn{CH2CH(C2H5)C4H9}4
96582-33-1

Sn{CH2CH(C2H5)C4H9}4

Conditions
ConditionsYield
With Na93.6%
With sodium93.6%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

(2-ethylhexyl)lithium
13067-81-7

(2-ethylhexyl)lithium

Conditions
ConditionsYield
With lithium In n-heptane at 20℃;90%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

sodium thiomethoxide
5188-07-8

sodium thiomethoxide

methyl 2-ethylhexyl sulfone
1225278-92-1

methyl 2-ethylhexyl sulfone

Conditions
ConditionsYield
Stage #1: 3-(chloromethyl)heptane; sodium thiomethoxide In water at 60℃; for 2h; Inert atmosphere;
Stage #2: With dihydrogen peroxide In dichloromethane at 60℃; for 2h;		90%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

(4-aminophenyl)boronic acid
89415-43-0

(4-aminophenyl)boronic acid

4-(2-ethylhexyl)benzenamine
119630-26-1

4-(2-ethylhexyl)benzenamine

Conditions
ConditionsYield
With potassium phosphate; palladium diacetate; DavePhos In 1,4-dioxane for 4h; Reflux;88.6%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

4-Bromophenylboronic acid
5467-74-3

4-Bromophenylboronic acid

1-bromo-4-(2'-ethylhexyl)benzene

1-bromo-4-(2'-ethylhexyl)benzene

Conditions
ConditionsYield
With potassium phosphate; palladium diacetate; DavePhos In 1,4-dioxane for 4h; Reflux;77.6%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
201733-56-4

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(2-ethylhexyl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(2-ethylhexyl)-5,5-dimethyl-1,3,2-dioxaborinane

Conditions
ConditionsYield
With chlorotris(triphenylphosphine)cobalt(I); sodium ethanolate; 1,3-dicyclohexylimidazol-2-ylidene In tert-butyl methyl ether at 50℃; for 24h; Inert atmosphere;70%
With iron(II) bis(trimethylsilyl)amide; sodium ethanolate In hexane; tert-butyl methyl ether at 80℃; for 22h; Inert atmosphere; Sealed tube;70%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

carbon dioxide
124-38-9

carbon dioxide

3-ethylheptanoic acid
14272-47-0, 42330-40-5, 57403-75-5

3-ethylheptanoic acid

Conditions
ConditionsYield
With nickel(II) bromide dimethoxyethane; manganese; 2,9-dibutyl-4,7-dimethyl-1,10-phenanthroline; tetrabutylammomium bromide In N,N-dimethyl-formamide at 60℃; under 760.051 Torr; Schlenk technique;49%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

Trimethylenediamine
109-76-2

Trimethylenediamine

N-(2-ethyl-hexyl)-propanediyldiamine
13281-06-6

N-(2-ethyl-hexyl)-propanediyldiamine

Conditions
ConditionsYield
In ethanol for 24h; Heating;48%
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

N,N-dimethylaminododecane
112-18-5

N,N-dimethylaminododecane

(2-ethyl-hexyl)-dodecyl-dimethyl-ammonium; chloride

(2-ethyl-hexyl)-dodecyl-dimethyl-ammonium; chloride

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

2-ethylhexane-1-thiol
7341-17-5

2-ethylhexane-1-thiol

Conditions
ConditionsYield
With sodium hydrogensulfide; hydrogen sulfide; ethylene glycol
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

bis(2-ethylhexyl)sulfide
16679-04-2

bis(2-ethylhexyl)sulfide

Conditions
ConditionsYield
With sodium sulfide; ethylene glycol at 135℃;
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

4-chloro-phenol
106-48-9

4-chloro-phenol

A

2-ethyl-1-hexene
1632-16-2

2-ethyl-1-hexene

B

2-(1-ethyl-1-methyl-pentyl)-4-chloro-phenol

2-(1-ethyl-1-methyl-pentyl)-4-chloro-phenol

Conditions
ConditionsYield
at 160 - 170℃;
...Expand
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

2-hydroxyethanethiol
60-24-2

2-hydroxyethanethiol

2-(2-ethyl-hexylsulfanyl)-ethanol
99867-99-9

2-(2-ethyl-hexylsulfanyl)-ethanol

Conditions
ConditionsYield
With sodium hydroxide
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

3-(iodomethyl)heptane
1653-16-3

3-(iodomethyl)heptane

Conditions
ConditionsYield
With perhydrodibenzo-18-crown-6; potassium iodide In water Yield given;
diethyl ether
60-29-7

diethyl ether

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

chloro-diphenylphosphine
1079-66-9

chloro-diphenylphosphine

A

diphenyl-3-(3-methylheptyl)phosphine oxide

diphenyl-3-(3-methylheptyl)phosphine oxide

B

ethydiphenylphosphine oxide
1733-57-9

ethydiphenylphosphine oxide

Conditions
ConditionsYield
With hydrogenchloride; aluminium trichloride In benzene for 4h; Mechanism; Product distribution; Heating; followed by hydrolysis with H2O at 0 deg C; other alkyl halides investigated;
...Expand
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

chloro-diphenylphosphine
1079-66-9

chloro-diphenylphosphine

A

diphenyl-3-(3-methylheptyl)phosphine oxide

diphenyl-3-(3-methylheptyl)phosphine oxide

B

ethydiphenylphosphine oxide
1733-57-9

ethydiphenylphosphine oxide

Conditions
ConditionsYield
With hydrogenchloride; aluminium trichloride; water 1.) diethyl ether, benzene, reflux, 4h, 2.) 0 deg C; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
...Expand
3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

lithium hydride

lithium hydride

3-methylheptane
589-81-1

3-methylheptane

Conditions
ConditionsYield
With tetrahydrofuran; lithium aluminium tetrahydride
N-(3-hydroxy-2-methylprop-1-yl)-2,6-dimethylmorpholine

N-(3-hydroxy-2-methylprop-1-yl)-2,6-dimethylmorpholine

3-(chloromethyl)heptane
123-04-6

3-(chloromethyl)heptane

N-[3-(2-ethylhexyloxy)-2-methylprop-1-yl]-2,6-dimethylmorpholine

N-[3-(2-ethylhexyloxy)-2-methylprop-1-yl]-2,6-dimethylmorpholine

Conditions
ConditionsYield
With sodium hydroxide; tetrabutyl-ammonium chloride In water

3-(Chloromethyl)heptane Chemical Properties

IUPAC Name: 3-(chloromethyl)heptane
The MF of 2-ETHYLHEXYL-1-CHLORIDE(123-04-6): C8H17Cl
The MW of 2-ETHYLHEXYL-1-CHLORIDE(123-04-6): 148.67
EINECS: 204-594-4
mp: -70 °C 
bp: 166-168 °C 
Fp: 60 °C
density: 0.882 
refractive index: 1.432-1.436 
Appearance: Clear, colorless liquid.
Water Solubility: 0.0503 g/L (20 °C)
Synonyms: 3-(chloromethyl)-heptan;3-chloromethyl-heptan;Chloro-iso-octane;Heptane, 3-(chloromethyl)-;hexane,1-chloro-2-ethyl-;TIMTEC-BB SBB005809;2-ETHYLHEXYL CHLORIDE;1-CHLORO-2-ETHYLHEXANE
The Structure of 2-ETHYLHEXYL-1-CHLORIDE(123-04-6):

3-(Chloromethyl)heptane Uses

2-ETHYLHEXYL-1-CHLORIDE(123-04-6) is used as chemical intermediate.

3-(Chloromethyl)heptane Toxicity Data With Reference

1.   

skn-rbt 500 mg MLD

   34ZIAG    Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,745.
2.   

skn-rbt 100 mg/24H MOD

   85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,102.
3.   

eye-rbt 100 mg/24H MLD

   85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,102.
4.   

orl-rat LD50:7340 mg/kg

   AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
5.   

ihl-rat LCLo:2000 ppm/4H

   AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
6.   

skn-rbt LD50:15,800 mg/kg

   34ZIAG    Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,745.

3-(Chloromethyl)heptane Consensus Reports

Reported in EPA TSCA Inventory.

3-(Chloromethyl)heptane Safety Profile

Mildly toxic by ingestion, inhalation, and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits highly toxic fumes of phosgene and Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38:  Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26
37/39:  Wear suitable gloves and eye/face protection
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RTECS: MI8760000

3-(Chloromethyl)heptane Specification

1. First Aid Measures
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2. Handling and Storage
Storage:
Keep away from heat, sparks, and flame.
Handling:
Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid contact with heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View