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Cas Database |
| Name |
2-Ethylhexyl chloroformate |
EINECS | 246-278-9 |
| CAS No. | 24468-13-1 | Density | 1.001 g/cm3 |
| PSA | 26.30000 | LogP | 3.57820 |
| Solubility | N/A | Melting Point |
-50ºC |
| Formula | C9H17ClO2 | Boiling Point | 204.1 °C at 760 mmHg |
| Molecular Weight | 192.686 | Flash Point | 81.7 °C |
| Transport Information | UN 2748 | Appearance | colorless to light yellow colored liquid |
| Safety | 26-27-36/37/39-45 | Risk Codes | 23/24/25-34 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
Formicacid, chloro-, 2-ethylhexyl ester (6CI);2-Ethylhexyl chlorocarbonate;2-Ethylhexyl chloroformate;Chloroformic acid 2-ethylhexyl ester;2-ethylhexyl carbonochloridate;2-Ethylhexyl carbonochloridate;carbonochloridic acid, 2-ethylhexyl ester; |
Article Data | 5 |
2-Ethylhexyl chloroformate Synthetic route
| Conditions | Yield |
|---|---|
| With toluene |
- 104-76-7
2-Ethylhexyl alcohol
- 32315-10-9
bis(trichloromethyl) carbonate
- 24468-13-1
2-Ethylhexyl chloroformate
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 2h; |
- 24468-13-1
2-Ethylhexyl chloroformate
- 3162-96-7
4,6-O-benzylidene-1-O-methyl-α-D-glucopyranoside
| Conditions | Yield |
|---|---|
| With N,N,N,N,-tetramethylethylenediamine In dichloromethane at 0℃; for 1h; | 99% |
- 24468-13-1
2-Ethylhexyl chloroformate
- 334513-51-8
2-ethylhexanoyl 2-ethylhexyl carbonate
| Conditions | Yield |
|---|---|
| 98% |
- 24468-13-1
2-Ethylhexyl chloroformate
- 141-43-5
ethanolamine
- 176516-34-0
2-N-(2-ethylhexyloxycarbonyl)amino-1-ethanol
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate | 98% |
- 616-30-8, 13552-31-3
3-Amino-1,2-propanediol
- 24468-13-1
2-Ethylhexyl chloroformate
- 176516-38-4
3-N-(2-ethylhexyloxycarbonyl)amino-1,2-propanediol
| Conditions | Yield |
|---|---|
| With sodium bicarbonate In tetrahydrofuran; water; acetone | 97% |
- 808756-71-0
N-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea
- 24468-13-1
2-Ethylhexyl chloroformate
| Conditions | Yield |
|---|---|
| Stage #1: N-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea With potassium tert-butylate In tetrahydrofuran; N,N-dimethyl-formamide for 0.0833333h; Stage #2: 2-Ethylhexyl chloroformate In tetrahydrofuran; N,N-dimethyl-formamide for 0.333333h; | 97% |
- 488-43-7
1-Amino-1-deoxy-D-glucitol
- 24468-13-1
2-Ethylhexyl chloroformate
- 176516-32-8
N-2-ethylhexyloxycarbonyl-D-glucamine
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate | 95% |
- 75-91-2
tert.-butylhydroperoxide
- 24468-13-1
2-Ethylhexyl chloroformate
- 34443-12-4
OO-tert-butyl O-(2-ethylhexyl) monoperoxycarbonate
| Conditions | Yield |
|---|---|
| In water at 55℃; | 95% |
| With pyridine; sodium hydroxide at 35℃; for 2.2h; Temperature; Reagent/catalyst; |
- 5382-16-1
4-HYDROXYPIPERIDINE
- 24468-13-1
2-Ethylhexyl chloroformate
- 945842-96-6
2-ethylhexyl 4-hydroxy-1-piperidinecarboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane for 1h; | 94% |
2-Ethylhexyl chloroformate Specification
The 2-Ethylhexyl chloroformate, with the CAS registry number 24468-13-1 and EINECS registry number 246-278-9, has the systematic name of 2-ethylhexyl carbonochloridate. And the molecular formula of this chemical is C9H17ClO2. It is a kind of colorless to light yellow colored liquid, and belongs to the following product categories: Chloroformates; API intermediates; Acid Halides; Carbonyl Compounds; Organic Building Blocks. In addition, it is ususally used as evocating agent.
The physical properties of 2-Ethylhexyl chloroformate are as following: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.44; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1405.34; (6)ACD/BCF (pH 7.4): 1405.34; (7)ACD/KOC (pH 5.5): 6234.19; (8)ACD/KOC (pH 7.4): 6234.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 50.32 cm3; (15)Molar Volume: 192.3 cm3; (16)Polarizability: 19.95×10-24cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 81.7 °C; (20)Enthalpy of Vaporization: 44.04 kJ/mol; (21)Boiling Point: 204.1 °C at 760 mmHg; (22)Vapour Pressure: 0.268 mmHg at 25°C.
Uses of 2-Ethylhexyl chloroformate: It can react with benzene-1,4-diol to produce carbonic acid 2-ethyl-hexyl ester 4-hydroxy-phenyl ester. This reaction will need reagent 4-dimethylaminopyridine, pyridine, and the solvent ethyl acetate. The reaction time is 24 hours with ambient temperature, and the yield is about 62%.
You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed, and may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Take off immediately all contaminated clothing; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)OCC(CCCC)CC
(2)InChI: InChI=1/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
(3)InChIKey: RTGLJCSUKOLTEM-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | 270mg/m3/4H (270mg/m3) | National Technical Information Service. Vol. OTS0539625, | |
| rat | LD50 | oral | 5420mg/kg (5420mg/kg) | National Technical Information Service. Vol. OTS0539625, |
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