8.00990

2-Ethyl-1-hexanol

for synthesis

• Synonym(s): 2-Ethyl-1-hexanol, Isocotyl alcohol, Isooctanol
• Linear Formula: CH₃CH₂CH₂CH₂CH(C₂H₅)CH₂OH
• CAS Number: 104-76-7
• Molecular Weight: 130.23
• UNSPSC Code: 12352104
• EC Index Number: 203-234-3
• NACRES: NA.22
• MDL number: MFCD00004746
• Assay: ≥99% (GC)
• Grade: synthesis grade
• Bp: 184 °C/1013 hPa
• Vapor pressure: 0.13 hPa ( 20 °C)

Properties

• grade: synthesis grade
• Quality Segment: 200
• vapor pressure: 0.13 hPa ( 20 °C)
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 270-330 °C (DIN 51794)
• potency: 3730 mg/kg LD₅₀, oral (Rat), >3000 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 1.1-12.7 % (v/v)
• dilution: (for synthesis)
• pH: 7 (20 °C, 1 g/L in H₂O)
• bp: 184 °C/1013 hPa
• mp: -76 °C
• transition temp: flash point 75 °C (DIN 51758)
• density: 0.832 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OCC(CCCC)CC
• InChI: 1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
• InChI key: YIWUKEYIRIRTPP-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 99 %
Density (d 20 °C/ 4 °C): 0.832 - 0.833
Water (K. F.): ≤ 0.2 %
Identity (IR): passes test

Safety Information

• pictograms: GHS07
• signalword: Warning
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk: WGK 1
• flash_point_f: 167.0 °F - closed cup
• flash_point_c: 75 °C - closed cup
• hcodes: H315,H319,H332,H335,H412
• pcodes: P261 - P264 - P273 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3