Isobutanol

SMILES string

OCC(C)C

InChI

1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChI key

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

grade

ACS reagent

agency

reag. Ph. Eur.

vapor pressure

12 hPa ( 20 °C)

product line

EMSURE^®

assay

≥99% (GC)

form

liquid

autoignition temp.

430 °C

potency

>2830 mg/kg LD₅₀, oral (Rat), 2460 mg/kg LD₅₀, skin (Rat)

expl. lim.

1.5-12 % (v/v)

dilution

(for analytical testing)

impurities

≤0.0005 meq/g Acidity, ≤0.001% Peroxide (as H₂O₂), ≤0.01% Butyraldehyde (GC), ≤0.02% Ethylmethylketone (GC), ≤0.05% 2-Butanol (GC), ≤0.05% Isobutyraldehyde (GC), ≤0.05% Water, ≤0.2% n-Butyl alcohol (GC)

evapn. residue

≤0.001%

color

APHA: ≤10

refractive index

n15/D 1.397-1.399

pH

7 (20 °C, 80 g/L in H₂O)

bp

106-108 °C/1013 hPa

mp

-108 °C

transition temp

flash point 28 °C

solubility

85 g/L

density

0.802 g/cm³ at 20 °C

cation traces

Al: ≤0.00005%, B: ≤0.000002%, Ba: ≤0.00001%, Ca: ≤0.00005%, Cd: ≤0.000005%, Co: ≤0.000002%, Cr: ≤0.000002%, Cu: ≤0.000002%, Fe: ≤0.00001%, Mg: ≤0.00001%, Mn: ≤0.000002%, Ni: ≤0.000002%, Pb: ≤0.00001%, Sn: ≤0.00001%, Zn: ≤0.00001%

storage temp.

2-30°C

Quality Level

300