ChemicalBook--->CAS DataBase List--->149-57-5

149-57-5

149-57-5 Structure

149-57-5 Structure
IdentificationMore
[Name]

2-Ethylhexanoic acid
[CAS]

149-57-5
[Synonyms]

2-BUTYLBUTANOIC ACID
2-ETHYLCAPROIC ACID
2-ETHYLCAPRONIC ACID
(+/-)-2-ETHYLHEXANOIC ACID
2-ETHYLHEXANOIC ACID
2-ETHYLHEXOIC ACID
3-HEPTANECARBOXYLIC ACID
A-ETHYLCAPROIC ACID
ALPHA-ETHYLCAPROIC ACID
BUTYLETHYLACETIC ACID
CARBOXYLIC ACID C8
ETHYLBUTYLACETIC ACID
OCTANOIC ACID
RARECHEM AL BE 0136
(RS)-2-Ethylhexansαure
2-Ethyl-1-hexanoic acid
2-Ethyl-1-hexanoicacid
2-ethylhexanoic
2-ethylhexanoicacid(eha)
2-ethyl-hexansyra
[EINECS(EC#)]

205-743-6
[Molecular Formula]

C8H16O2
[MDL Number]

MFCD00002675
[Molecular Weight]

144.21
[MOL File]

149-57-5.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-59 °C
[Boiling point ]

228 °C(lit.)
[density ]

0.906
[vapor density ]

4.98 (vs air)
[vapor pressure ]

<0.01 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.425(lit.)
[Fp ]

230 °F
[storage temp. ]

Store below +30°C.
[solubility ]

1.4g/l
[form ]

Liquid
[pka]

pK1:4.895 (25°C)
[color ]

Clear
[Odor]

Mild odour
[PH]

3 (1.4g/l, H2O, 20℃)
[PH Range]

3 at 1.4 g/l at 20 °C
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases.
[biological source]

synthetic
[explosive limit]

1.04%, 135°F
[Water Solubility ]

2 g/L (20 ºC)
[BRN ]

1750468
[Henry's Law Constant]

3.5×100 mol/(m3Pa) at 25℃, HSDB (2015)
[Exposure limits]

ACGIH: TWA 5 mg/m3
[InChI]

1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
[InChIKey]

OBETXYAYXDNJHR-UHFFFAOYSA-N
[SMILES]

CCCCC(CC)C(O)=O
[LogP]

2.7 at 25℃
[Uses]

Paint and varnish driers (metallic salts). Ethylhexoates of light metals are used to convert some mineral oils to greases. Its esters are used as plasticizers.
[CAS DataBase Reference]

149-57-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexanoic acid, 2-ethyl-(149-57-5)
[EPA Substance Registry System]

149-57-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361d
[Precautionary statements ]

P280
[Hazard Codes ]

Xn
[Risk Statements ]

R63:Possible risk of harm to the unborn child.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

1
[RTECS ]

MO7700000
[F ]

13
[Autoignition Temperature]

699 °F
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29159080
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Repr. 1B
[Safety Profile]

Moderately toxic by ingestion and skin contact. An experimental teratogen. A skin and severe eye irritant. Combustible when exposed to heat or flame. When heated to decomposition, it emits acrid and irritating fumes.
[Hazardous Substances Data]

149-57-5(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 3640 mg/kg LD50 dermal Rabbit > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Manganese dioxide-->2-Ethylhexanol-->1-Octanol-->Butyraldehyde-->Cadmium oxide-->Sodium 2-ethylhexanoate-->2-Ethyl-2-hexenal-->2-Ethylhexanal
[Preparation Products]

Heat stabilizer for PVC-->Sodium 2-ethylhexanoate-->Cobalt bis(2-ethylhexanoate)-->Stannous octoate-->Potassium 2-ethylhexanoate-->Lead bis(2-ethylhexanoate)-->Isooctyl thioglycolate-->Ethylhexanoic acid zinc salt-->Calcium 2-ethylhexanoate-->Lead isooctanoate-->Ampicillin sodium-->tert-Butyl peroxy-2-ethylhexanoate-->Manganese octoate-->Copper(II) 2-ethylhexanoate-->Aluminium 2-ethylhexanoate-->Zirconium 2-ethylhexanoate-->Potassium isooctanoate-->Cobalt isocaprylate drying agent-->3-Heptanol
Hazard InformationBack Directory
[General Description]

ETHYLHEXOIC ACID(149-57-5) is a colorless to light yellow liquid with a mild odor. ETHYLHEXOIC ACID(149-57-5) will burn though ETHYLHEXOIC ACID(149-57-5) may take some effort to ignite. ETHYLHEXOIC ACID(149-57-5) is slightly soluble in water. ETHYLHEXOIC ACID(149-57-5) is corrosive to metals and tissue. ETHYLHEXOIC ACID(149-57-5) is used to make paint dryers and plasticizers.
[Reactivity Profile]

ETHYLHEXOIC ACID is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in ETHYLHEXOIC ACID to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.
[Health Hazard]

Harmful if swallowed, inhaled or absorbed through skin. Material is extremely destructive to tissues of mucous membranes and upper respiratory tract, eyes and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx, bronchii, chemical pneumonitis and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting.
[Fire Hazard]

This chemical is combustible.
[Chemical Properties]

colourless liquid
[Definition]

ChEBI: 2-Ethylhexanoic acid is a branched-chain fatty acid.
[Preparation]

In a dry 1L three-neck bottle, Add isooctyl aldehyde (80g, 0.62mol) And the solvent 2-ethylhexanoic acid (240g, 1.66mol), ligand L8 (5.24mg, 0.007mmol), cesium carbonate (18.24mg, 0.056mmol), potassium acetate 160mg, placed in a water bath, mechanical under nitrogen atmosphere Stir, after the temperature rises to 30 ° C, Air flow was started at a flow rate of 11.9 g/h, and the reaction temperature was maintained at 30-35 ° C by adding cooling water to the water bath. After 6 hours of reaction, the conversion of isooctyl aldehyde was calculated to be 99.6%. The selectivity of 2-ethylhexanoic acid was 99.5%, and the yield was 99.10%.
2-Ethylhexanoic acid
[Flammability and Explosibility]

Notclassified
[Toxics Screening Level]

The Initial Threshold Screening Level (ITSL) for 2-ethylhexanoic acid (2-EHA) is 70 μg/m3 based on an annual averaging time.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Ethylhexanoic acid(149-57-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2-Ethylhexanoic acid(149-57-5)MS
2-Ethylhexanoic acid(149-57-5)1HNMR
2-Ethylhexanoic acid(149-57-5)13CNMR
2-Ethylhexanoic acid(149-57-5)IR1
2-Ethylhexanoic acid(149-57-5)IR2
2-Ethylhexanoic acid(149-57-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Ethylhexanoic acid, 99+%(149-57-5)
[Alfa Aesar]

2-Ethylhexanoic acid, 99%(149-57-5)
[Sigma Aldrich]

149-57-5(sigmaaldrich)
[TCI AMERICA]

2-Ethylhexanoic Acid,>98.0%(T)(149-57-5)
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