CAS No.149-57-5,2-Ethylhexanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	149-57-5
Name:	2-Ethylhexanoic acid
Article Data:	123

Formula:	C₈H₁₆O₂
Molecular Weight:	144.214
Synonyms:	Caproicacid, a-ethyl- (4CI);2-Butylbutanoic acid;2-Ethyl-1-hexanoic acid;3-Heptanecarboxylic acid;NSC8881;iso-Caprylic acid;
EINECS:	205-743-6
Density:	0.926 g/cm³
Melting Point:	-59 °C
Boiling Point:	228 °C at 760 mmHg
Flash Point:	116.6 °C
Solubility:	water: 2 g/L (20 °C )
Appearance:	colourless liquid
Hazard Symbols:	Xn
Risk Codes:	63
Safety:	36/37
Transport Information:	UN 3265 8/PG 2
PSA:	37.30000
LogP:	2.28740

Synthetic route

: 123-05-7
d,l-2-ethylhexanal

: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene In water at 50℃; under 760.051 Torr; for 12h; Sealed tube;	99%
With C43H56IO4P; potassium acetate; caesium carbonate at 35℃; for 6h; Reagent/catalyst; Cooling;	99.1%
With oxygen; copper(II) acetate monohydrate; cobalt(II) diacetate tetrahydrate In water at 40℃; under 760.051 Torr; for 3h;	94%

: 816-19-3
methyl 2-ethylhexanoate

: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water; acetone at 100℃; under 11103.3 Torr; for 4h;	98%

: C16H24O4

: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
With iron(III) chloride In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere; Green chemistry;	96%

: 1-amino-2-bromo-3-ethylheptene

: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
With dimethylfumarate at 48℃; for 3h; Temperature;	96%

: 62251-85-8
4-Ethyl-3-oxo-2-(triphenyl-λ5-phosphanylidene)-octanoic acid ethyl ester

A: 149-57-5
2-Ethylhexanoic acid

B: 791-28-6
Triphenylphosphine oxide

Conditions

Conditions	Yield
With sodium hydroxide; sodium hypochlorite In tetrahydrofuran at 25℃; for 19h;	A 93% B n/a

: 1426824-91-0
2-methoxybenzyl 2-ethylhexanoate

: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide for 24h; Inert atmosphere; Glovebox; UV-irradiation;	91%

: 187737-37-7
propene

: 123-05-7
d,l-2-ethylhexanal

A: 57-55-6
propylene glycol

B: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
With sulfuric acid; water; oxygen In water at 60℃; under 2280.15 Torr; for 16h; pH=1;	A 36% B 90%

...Expand

: 1426824-92-1
2-ethoxybenzyl 2-ethylhexanoate

: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide for 24h; Inert atmosphere; Glovebox; UV-irradiation;	89%

: 104-76-7
2-Ethylhexyl alcohol

: 149-57-5
2-Ethylhexanoic acid

Conditions

Conditions	Yield
at 70℃; for 7h; Product distribution; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: 1M NaOH/water; variation of temperature and reaction time;	76%
at 70℃; for 7h; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: 1M NaOH/H2O;	76%
With sodium tungstate; dihydrogen peroxide In water at 90℃; for 4h;	68%

: 123-05-7
d,l-2-ethylhexanal

A: 589-82-2
heptan-3-ol

B: 149-57-5
2-Ethylhexanoic acid

C: 106-35-4
heptan-3-one

Conditions

Conditions	Yield
With dihydrogen peroxide; methyl tri-n-octyl ammonium hydrogen sulfate In water at 90℃; for 2h; Oxidation;	A n/a B 65% C n/a

...Expand

Raw Materials

75-03-6

142-71-2

645-62-5

937-14-4

74-96-4

123-05-7

872-05-9

760-67-8

Downstream Products

14272-47-0

123-05-7

36765-89-6

142-82-5

592-77-8

34666-17-6

111-27-3

32970-62-0

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

ACGIH TLV: TWA 5 mg/m³

Specification

The Butyl ethyl acetic acid is an organic compound with the formula C₈H₁₆O₂. The IUPAC name of this chemical is 2-ethylhexanoic acid. With the CAS registry number 149-57-5, it is also named as hexanoic acid, 2-ethyl-. The product's category is Industrial/Fine Chemicals. Besides, it is colourless liquid, which should be stored in a closed cool and dry palce.

The main use of Butyl ethyl acetic acid is to prepare a dryer for coatings and paints. It is also used as a heat stabilizer of polyvinyl chloride plastics. It is still an important medical material of carbenicillin. Besides, it is used in synthesis of dyes and fragrance.

Physical properties about Butyl ethyl acetic acid are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 11.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 123.98; (7)ACD/KOC (pH 7.4): 2.01; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 40.63 cm³; (14)Molar Volume: 155.5 cm³; (15)Polarizability: 16.1×10^-24cm³; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 0.926 g/cm³; (18)Flash Point: 116.6 °C; (19)Enthalpy of Vaporization: 51.18 kJ/mol; (20)Boiling Point: 228 °C at 760 mmHg; (21)Vapour Pressure: 0.027 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-ethyl-hexan-1-ol. This reaction will need reagent KMnO₄ and alkali.

Uses of Butyl ethyl acetic acid: it can be used to produce 2-ethyl-hexanoic acid-anhydride. It will need reagent acetic acid anhydride and sulfuric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical is possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CC)CCCC
(2)InChI: InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
(3)InChIKey: OBETXYAYXDNJHR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
(5)Std. InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	skin	6300uL/kg (6.3mL/kg)	Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
rabbit	LD50	skin	1260uL/kg (1.26mL/kg)	Union Carbide Data Sheet. Vol. 11/4/1971,
rat	LC	inhalation	> 400ppm/6H (400ppm)	Kodak Company Reports. Vol. 21MAY1971,
rat	LD50	oral	3gm/kg (3000mg/kg)	Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.