1.00979

Isoamyl alcohol

for analysis EMSURE^® ACS,Reag. Ph Eur

• Synonym(s): 3-Methyl-1-butanol, Isoamyl alcohol, Isopentyl alcohol
• Linear Formula: (CH₃)₂CHCH₂CH₂OH
• CAS Number: 123-51-3
• Molecular Weight: 88.15
• Beilstein/REAXYS Number: 1718835
• MDL number: MFCD00002934
• UNSPSC Code: 12191502
• EC Index Number: 204-633-5
• NACRES: NB.21

Properties

• grade: ACS reagent
• Quality Level: 300
• agency: reag. Ph. Eur.
• vapor density: 3 (vs air)
• vapor pressure: 2 mmHg ( 20 °C)
• product line: EMSURE^®
• form: liquid
• autoignition temp.: 644 °F
• potency: >5000 mg/kg LD₅₀, oral (Rat); >3000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.2-9 %, 100 °F
• impurities: ≤0.0001% Furfurol; ≤0.005% Free acid (as CH₃COOH); ≤0.05% Carbonyl compounds (as CO); ≤0.06% Acids,esters (as pentylacetate); ≤0.2% Water; ≤0.5% n-Amyl alcohol (GC); ≥99% Total isomeric compounds (GC)
• evapn. residue: ≤0.002%
• color: clearAPHA: ≤10
• refractive index: n20/D 1.406 (lit.)
• pH: 7 (20 °C, 25 g/L in H₂O)
• kinematic viscosity: 5.32 cSt(20 °C)
• bp: 130 °C (lit.)
• mp: −117 °C (lit.)
• transition temp: flash point 43.5 °C
• solubility: 25 g/L
• density: 0.809 g/mL at 25 °C (lit.)
• 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: CC(C)CCO
• storage temp.: 2-30°C
• InChI: 1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
• InChI key: PHTQWCKDNZKARW-UHFFFAOYSA-N

Description

Analysis Note

Total isomeric compounds (GC): ≥ 99 %
Identity (IR): conforms
Appearance: clear
Colour: ≤ 10 Hazen
Free acid (as CH₃COOH): ≤ 0.005 %
Boiling point: 129 - 132 °C
n-Amyl alcohol (GC): ≤ 0.5 %
Acids,esters (as pentylacetate): ≤ 0.06 %
Furfurol: ≤ 0.0001 %
Carbonyl compounds (as CO): ≤ 0.05 %
Readily carbonizable substances: conforms
Al (Aluminium): ≤ 0.00005 %
B (Boron): ≤ 0.000002 %
Ba (Barium): ≤ 0.00001 %
Ca (Calcium): ≤ 0.00005 %
Cd (Cadmium): ≤ 0.000005 %
Co (Cobalt): ≤ 0.000002 %
Cr (Chromium): ≤ 0.000002 %
Cu (Copper): ≤ 0.000002 %
Fe (Iron): ≤ 0.00001 %
Mg (Magnesium): ≤ 0.00001 %
Mn (Manganese): ≤ 0.000002 %
Ni (Nickel): ≤ 0.000002 %
Pb (Lead): ≤ 0.00001 %
Sn (Tin): ≤ 0.00001 %
Zn (Zinc): ≤ 0.00001 %
Evaporation residue: ≤ 0.002 %
Water: ≤ 0.2 %
Corresponds to ACS, Ph Eur-reagent

Legal Information

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

Safety Information

• pictograms: GHS02,GHS05,GHS07
• signalword: Danger
• hcodes: H226 - H315 - H318 - H332 - H335
• pcodes: P210 - P233 - P280 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 110.3 °F - closed cup
• flash_point_c: 43.5 °C - closed cup