2-Ethylhexyl benzoate supplier

Name
BENZOIC ACID 2-ETHYLHEXYL ESTER
EINECS 226-641-8
CAS No. 5444-75-7
Article Data18
CAS DataBase
Density 0.963 g/cm³
Solubility 400μg/L at 20℃
Melting Point
Formula C₁₅H₂₂O₂
Boiling Point 313.1 °C at 760 mmHg
Molecular Weight 234.338
Flash Point 132 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1-Hexanol,2-ethyl-, benzoate (6CI);2-Ethyl-1-hexanol benzoate;Ethylhexyl benzoate;Finsolv EB;Hi-Ester B 508;NSC 19155;Velate 368;
PSA 26.30000
LogP 4.05980

Synthetic route

: 93-58-3
benzoic acid methyl ester

: 104-76-7
2-Ethylhexyl alcohol

A: 67-56-1
methanol

B: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With phosphorus pentoxide; potassium carbonate; Aliquat 336 In neat (no solvent) under 20 Torr; for 8h; Product distribution; Ambient temperature;	A n/a B 100%
With phosphorus pentoxide; potassium carbonate; Aliquat 336 In neat (no solvent) under 20 Torr; for 8h; Ambient temperature;	A n/a B 100%

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 65-85-0
benzoic acid

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With titanium(IV) isopropylate In water at 170 - 220℃; for 4.5h; Inert atmosphere;	98%
With hypophosphorous acid; toluene-4-sulfonic acid at 140℃; for 12h;	92%
With toluene-4-sulfonic acid; benzene

: 104-76-7
2-Ethylhexyl alcohol

: 155164-66-2
2-benzoyl-4,5-dichloropyridazin-3(2H)-one

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
In neat (no solvent) at 100℃; for 0.0833333h; Sealed tube; Green chemistry;	96%

: 104-76-7
2-Ethylhexyl alcohol

: 98-88-4
benzoyl chloride

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With triethylamine In chloroform at 0 - 20℃; for 6h;	83%

: 104-76-7
2-Ethylhexyl alcohol

: 611-74-5
N,N-dimethylbenzamide

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With cerium(IV) oxide at 175℃; for 36h; Inert atmosphere; Sealed tube;	83%

: 104-76-7
2-Ethylhexyl alcohol

: 98-88-4
benzoyl chloride

A: 123-04-6
3-(chloromethyl)heptane

B: 5444-75-7
Velate 368

Conditions

Conditions	Yield
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

: 104-76-7
2-Ethylhexyl alcohol

: 55-21-0
benzamide

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With cerium(IV) oxide In 1,3,5-trimethyl-benzene at 165℃; for 22h; Inert atmosphere;	75%

: 104-76-7
2-Ethylhexyl alcohol

: 201230-82-2
carbon monoxide

: 62-53-3
aniline

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
Stage #1: aniline With tetrafluoroboric acid; acetic acid; isopentyl nitrite In water at 20℃; for 0.0833333h; Stage #2: 2-Ethylhexyl alcohol; carbon monoxide With Eosin Y In acetonitrile at 18℃; under 37503.8 Torr; for 4h; Inert atmosphere; Darkness; Irradiation;	58%

...Expand

: 136-60-7
benzoic acid, butyl ester

: 2372-45-4
sodium butanolate

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
at 180℃;

: 136-60-7
benzoic acid, butyl ester

: 2372-45-4
sodium butanolate

A: 104-76-7
2-Ethylhexyl alcohol

B: 5444-75-7
Velate 368

C: 495-40-9
butyrophenone

D: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
at 180℃;

...Expand

: 93-58-3
benzoic acid methyl ester

: 104-76-7
2-Ethylhexyl alcohol

: 5444-75-7
Velate 368

Conditions

Conditions	Yield
cobalt(II) diacetate tetrahydrate at 260℃; Inert atmosphere;

: 104-76-7
2-Ethylhexyl alcohol

: 108-88-3
toluene

A: 7425-14-1
2-ethylhexyl 2-ethylhexanoate

B: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With Oxone; Pyridine-2,6-dicarboxylic acid; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrabutylammomium bromide; iron(II) acetate at 110℃; for 48h; Sealed tube;	A 70 %Chromat. B n/a

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 98-88-4
benzoyl chloride

A: 123-04-6
3-(chloromethyl)heptane

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

C: 5444-75-7
Velate 368

Conditions

Conditions	Yield
With N,N-dimethyl-formamide at 100℃; for 2.25h; Sealed tube;	A 21.48 g B n/a C n/a

...Expand

2-Ethylhexyl benzoate Specification

The Benzoic acid,2-ethylhexyl ester, also known as 2-Ethyl-1-hexanol benzoate, is the organic compound with the formula C₁₅H₂₂O₂. Its EINECS registry number is 226-641-8. With the CAS registry number 5444-75-7, its IUPAC name is 2-ethylhexyl benzoate. The substance should be sealed and stored in cool and dry place.

Physical properties of Benzoic acid,2-ethylhexyl ester: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.73; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 13362.75; (6)ACD/BCF (pH 7.4): 13362.75; (7)ACD/KOC (pH 5.5): 31253.92; (8)ACD/KOC (pH 7.4): 31253.92; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 70.41 cm³; (13)Molar Volume: 243.2 cm³; (14)Surface Tension: 34.1 dyne/cm; (15)Density: 0.963 g/cm³; (16)Flash Point: 132 °C; (17)Enthalpy of Vaporization: 55.42 kJ/mol; (18)Boiling Point: 313.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000507 mmHg at 25°C.

Preparation of Benzoic acid,2-ethylhexyl ester: this chemical can be prepared by benzoic acid methyl ester and 2-ethyl-hexan-1-ol. This reaction will need reagents K₂CO₃ and P₂O₅. The yield is about 100%.

Benzoic acid,2-ethylhexyl ester can be prepared by benzoic acid methyl ester and 2-ethyl-hexan-1-ol

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
(3)InChIKey: UADWUILHKRXHMM-UHFFFAOYSA-N

Product Name

BENZOIC ACID 2-ETHYLHEXYL ESTER

Synthetic route

2-Ethylhexyl benzoate Specification

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