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3-[2-(Ethylhexyl)oxyl]-1,2-propandiol

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Name

3-[2-(Ethylhexyl)oxyl]-1,2-propandiol

EINECS 408-080-2
CAS No. 70445-33-9 Density 0.962
PSA 49.69000 LogP 1.57260
Solubility N/A Melting Point N/A
Formula C11H24O3 Boiling Point 325 °C
Molecular Weight 204.31 Flash Point 150.858 °C
Transport Information N/A Appearance N/A
Safety S26;S39 Risk Codes R41;R52/53
Molecular Structure Molecular Structure of 70445-33-9 (3-[2-(Ethylhexyl)oxyl]-1,2-propandiol) Hazard Symbols IrritantXi
Synonyms

1,2-propanediol, 3-[(2-ethylhexyl)oxy]-;3-[(2-Ethylhexyl)oxy]-1,2-propanediol;3-[(2-Ethylhexyl)oxy]propane-1,2-diol;

Article Data 18

3-[2-(Ethylhexyl)oxyl]-1,2-propandiol Synthetic route

2461-15-6

2-ethyl-hexyl glycidyl ether

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
With formic acid; water; sodium hydroxide In Triethylene glycol dimethyl ether at 120℃; for 12h; Reagent/catalyst; Solvent;98.5%
Stage #1: 2-ethyl-hexyl glycidyl ether With boron trifluoride diethyl etherate In acetone at 10 - 20℃; for 2.66667h;
Stage #2: With methylamine In water; acetone at 10 - 20℃; for 0.166667h;
Stage #3: With formic acid In water at 50 - 55℃; for 3h; Temperature; Reagent/catalyst;
89.1%
Stage #1: 2-ethyl-hexyl glycidyl ether With formic acid; sulfuric acid at 80 - 100℃;
Stage #2: With methanol at 60℃;
Stage #3: With water; sodium hydroxide Product distribution / selectivity;
78.1%
104-76-7

2-Ethylhexyl alcohol

96-24-2

3-monochloro-1,2-propanediol

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
With sodium hydroxide at 90℃; for 0.666667h; Temperature; Reagent/catalyst;92.4%
6387-89-9

glycidyl acetate

104-76-7

2-Ethylhexyl alcohol

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
Stage #1: glycidyl acetate; 2-Ethylhexyl alcohol With boron trifluoride diethyl etherate at 20℃; for 4h;
Stage #2: With toluene-4-sulfonic acid In water at 100℃; for 8h; Temperature; Solvent;
88.2%
149-57-5

2-Ethylhexanoic acid

56-81-5

glycerol

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen at 120℃; under 37503.8 Torr; for 16h; Autoclave; Inert atmosphere;47%
With palladium on activated charcoal; hydrogen In neat (no solvent) at 120℃; under 37503.8 Torr; for 16h;
104-76-7

2-Ethylhexyl alcohol

556-52-5

oxiranyl-methanol

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
With potassium hydroxide at 65℃; for 2.25h; Reagent/catalyst; Green chemistry;36%

2-(2-ethyl)hexoxy-1,2-propanediol

123-05-7

d,l-2-ethylhexanal

glycerol monoethers 3-(2-ethyl)hexoxy-1,2-propanediol

glycerol monoethers 3-(2-ethyl)hexoxy-1,2-propanediol

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
With hydrogen; methanol; palladium-carbon In water; glycerol
123-05-7

d,l-2-ethylhexanal

56-81-5

glycerol

A

104-76-7

2-Ethylhexyl alcohol

B

59068-03-0

5,13-diethyl-7,11-dioxa-9-heptadecanol

C

1027549-81-0

2-(2-ethylhexyloxy)-1,3-propanediol

D

59068-04-1

2,3-di(2-ethylhexyloxy)-1-propanol

E

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon at 200℃; under 51716.2 Torr; for 22h;A 6.5 %Chromat.
B n/a
C n/a
D n/a
E n/a
104-76-7

2-Ethylhexyl alcohol

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydroxide; tetrabutylammomium bromide / 0.5 h / -40 °C / Inert atmosphere
1.2: 12 h / 40 °C
2.1: boron trifluoride / water; dimethyl sulfoxide / 20 h / 120 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydroxide; tetrabutylammomium bromide / 0.5 h / -40 °C / Inert atmosphere
1.2: 12 h / 60 °C
2.1: boron trifluoride / water; dimethyl sulfoxide / 20 h / 120 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydroxide; tetrabutylammomium bromide / 0.5 h / -40 °C / Inert atmosphere
1.2: 12 h / 80 °C
2.1: boron trifluoride / water; dimethyl sulfoxide / 20 h / 120 °C / Inert atmosphere
View Scheme
2461-15-6

2-ethyl-hexyl glycidyl ether

A

C22H46O5

B

70445-33-9

1-O-(2-ethylhexyl)glycerin

Conditions
ConditionsYield
With water at 300℃; under 760.051 Torr; for 2h; Temperature; Gas phase;
121-33-5

vanillin

70445-33-9

1-O-(2-ethylhexyl)glycerin

vanillin-1-(2-ethyl) hexyloxyglycerol acetal

Conditions
ConditionsYield
toluene-4-sulfonic acid In water; toluene at 140℃; for 5h; Heating / reflux; with Dean-Stark tube;91.9%

3-[2-(Ethylhexyl)oxyl]-1,2-propandiol Specification

The 3-[2-(Ethylhexyl)oxyl]-1,2-propandiol with the cas number 70445-33-9 is also called 3-[(2-ethylhexyl)oxy]propane-1,2-diol. The properties of 3-[2-(Ethylhexyl)oxyl]-1,2-propandiol are: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 49.69 Å2; (5)Index of Refraction: 1.456; (6)Molar Refractivity: 57.743 cm3; (7)Molar Volume: 212.237 cm3; (8)Polarizability: 22.891×10-24cm3; (9)Surface Tension: 35.397 dyne/cm; (10)Enthalpy of Vaporization: 65.826 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.

This product can be supplied by the following suppliers: (1)Wenzhou Longsheng Chemical Co., Ltd.  ; (2)Shanghai Unichem International Trade Ltd. ; (3)Link Chemicals Co.,Ltd.; (4)Hangzhou Sunny Chemical Co., Ltd. ; (5)Nanjing Chemlin Chemical Co., Ltd.; (6)Leap Labchem Co.,Ltd. ; (7)BETAPHARMA (SHANGHAI) CO., LTD.

When you are using this chemical, please be cautious about it as the following: (1)Risk of serious damage to the eyes ; (2)Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (4)Wear eye / face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(COCC(CCCC)CC)CO
(2)InChI: InChI=1/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3

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