88-09-5

Name 2-Ethylbutyric acid
CAS 88-09-5
EINECS(EC#) 201-796-4
Molecular Formula C6H12O2
MDL Number MFCD00002670
Molecular Weight 116.16
MOL File 88-09-5.mol
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Chemical Properties

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)
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Safety Data

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

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