1.00984

Isobutanol

for analysis EMSURE^® ACS,Reag. Ph Eur

• Synonym(s): Isobutanol, Isobutylalcohol, 2-Methyl-1-propanol, Iso-Butanol
• Linear Formula: (CH₃)₂CHCH₂OH
• CAS Number: 78-83-1
• Molecular Weight: 74.12
• MDL number: MFCD00004740
• UNSPSC Code: 12191502
• EC Index Number: 201-148-0
• NACRES: NA.21
• grade: ACS reagent; for analytical purposes
• bp: 106-108 °C/1013 hPa
• vapor pressure: 12 hPa ( 20 °C)

Properties

• grade: ACS reagent; for analytical purposes
• Quality Level: 300
• 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%
• SMILES string: OCC(C)C
• storage temp.: 2-30°C
• InChI: 1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
• InChI key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Description

Linkage

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Other Notes

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Legal Information

EMSURE is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H226 - H315 - H318 - H335 - H336
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 82.4 °F - closed cup
• Flash Point(C): 28 °C - closed cup