ChemicalBook--->CAS DataBase List--->88-09-5

88-09-5

88-09-5 Structure

88-09-5 Structure
IdentificationMore
[Name]

2-Ethylbutyric acid
[CAS]

88-09-5
[Synonyms]

2-ETHYL BUTANOIC ACID
2-ETHYLBUTYRIC ACID
2-ETHYL-N-BUTYRIC ACID
ALPHA-ETHYLBUTYRIC ACID
CARBOXYLIC ACID C6
DIETHYLACETIC ACID
FEMA 2429
RARECHEM AL BE 0134
(C2H5)2CHCOOH
2-ethyl-butanoicaci
2-Ethylbutansαure
2-Ethylbuttersαure
2-ethylbutyric
2-ethyl-butyricaci
2-Ethylbutyricaicd
3-Pentanecarboxylic acid
3-pentanecarboxylicacid
Acetic acid, diethyl-
Aceticacid,diethyl-
acide2-ethylbutyrique
[EINECS(EC#)]

201-796-4
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00002670
[Molecular Weight]

116.16
[MOL File]

88-09-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-16--13 °C (lit.)
[Boiling point ]

99-101 °C/18 mmHg (lit.)
[density ]

0.92 g/mL at 25 °C(lit.)
[vapor pressure ]

0.08 mm Hg ( 20 °C)
[FEMA ]

2429
[refractive index ]

n20/D 1.413(lit.)
[Fp ]

190 °F
[storage temp. ]

Store below +30°C.
[solubility ]

18g/l
[form ]

clear liquid
[pka]

pKa: 4.751(25°C)
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in propylene glycol. acidic fruity whiskey dry berry
[PH]

3 (18g/l, H2O, 20℃)
[biological source]

synthetic
[explosive limit]

1.4%(V)
[Odor Type]

acidic
[Water Solubility ]

18 g/L (20 ºC)
[JECFA Number]

257
[Merck ]

14,3110
[BRN ]

1098634
[Henry's Law Constant]

6.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
[InChIKey]

OXQGTIUCKGYOAA-UHFFFAOYSA-N
[SMILES]

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

1.68
[Uses]

2-Ethylbutyric Acid is a flavoring agent that is a clear liquid, color- less, with a rancid odor. it is miscible in alcohol and ether, sparingly soluble in water, and is obtained by chemical synthesis.
[CAS DataBase Reference]

88-09-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 2-ethyl-(88-09-5)
[EPA Substance Registry System]

2-Ethylbutyric acid (88-09-5)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H311-H315-H319-H373
[Precautionary statements ]

P260-P264-P280-P302+P352+P312-P305+P351+P338-P314
[Hazard Codes ]

C,Xn
[Risk Statements ]

R21:Harmful in contact with skin.
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

1
[RTECS ]

ET1400000
[Autoignition Temperature]

345 °C
[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]

Acute Tox. 3 Dermal
Eye Irrit. 2
Skin Irrit. 2
STOT RE 2 Oral
[Safety Profile]

Moderately toxic by ingestion and skin contact. An irritant to skin and mucous membranes. A severe eye irritant. See also ESTERS. Narcotic in high concentrations. Flammable liquid. To fight fire, use CO2, dry chemical, alcohol foam. When heated to decomposition it emits acrid smoke and fumes.
[Toxicity]

LD50 orally in Rabbit: 2200 mg/kg LD50 dermal Rabbit 478 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Formic acid-->2-Ethylbutyraldehyde-->3-Pentanol-->2-Ethyl-1-butanol-->Diethylmalonic acid-->Boronic acid, (2-ethylbutyl)- (9CI)-->3-Chloropentane-->3-Ethyl-2-pentanone-->Ethyl 2,2-diethylacetoacetate-->Pentane
[Preparation Products]

2-Ethylbutylamine-->Allyl 2-ethylbutyrate-->3-Aminopentane-3-carboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Ethylbutyric acid (88-09-5).msds
Hazard InformationBack Directory
[Chemical Properties]

2-Ethylbutyric acid has a rancid, oily-fruity, acidulous odor
[Chemical Properties]

clear colorless to light yellow liquid
[Occurrence]

Reported found in guava fruit, wheaten bread and cheeses (Parmesan, blue, cheddar, provolone, Romano and goat), apple, banana, grape, melon, papaya, peach, pineapple and more.
[Definition]

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

By catalytic oxidation of diethylacetaldehyde or by decarboxylation of diethylmalonic acid.
[Aroma threshold values]

Detection: 15 to 600 ppb
[Taste threshold values]

Taste characteristics at 35 ppm: acidic, fruity, tropical with a creamy aftertaste.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Ethylbutyric acid(88-09-5)MS
2-Ethylbutyric acid(88-09-5)1HNMR
2-Ethylbutyric acid(88-09-5)13CNMR
2-Ethylbutyric acid(88-09-5)IR1
2-Ethylbutyric acid(88-09-5)IR2
2-Ethylbutyric acid(88-09-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Ethylbutyric acid, 99%(88-09-5)
[Alfa Aesar]

2-Ethylbutyric acid, 98%(88-09-5)
[Sigma Aldrich]

88-09-5(sigmaaldrich)
[TCI AMERICA]

2-Ethylbutyric Acid,>98.0%(GC)(T)(88-09-5)
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