8.00198

Hexanoic acid

for synthesis

• Synonym(s): Hexanoic acid, Caproic acid
• Empirical Formula (Hill Notation): C₆H₁₂O₂
• CAS Number: 142-62-1
• Molecular Weight: 116.16
• MDL number: MFCD00004421
• UNSPSC Code: 12352106
• EC Index Number: 205-550-7
• NACRES: NA.22

Properties

• vapor pressure: 0.3 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥98.0% (GC)
• form: liquid
• autoignition temp.: 380 °C
• potency: 1906 mg/kg LD₅₀, oral (Rat); 586 mg/kg LD₅₀, skin (Rabbit)
• pH: 4 (20 °C, 1 g/L in H₂O)
• bp: 206 °C/1013 hPa
• mp: -3 °C
• transition temp: flash point 110 °C
• density: 0.93 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OC(=O)CCCCC
• InChI: 1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
• InChI key: FUZZWVXGSFPDMH-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.926 - 0.927
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314
• Precautionary Statements: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1C
• Storage Class Code: 8A - Combustible, corrosive hazardous materials
• WGK: WGK 1
• Flash Point(F): 215.6 °F - closed cup
• Flash Point(C): 102 °C - closed cup