489727

Hexanoic acid-6,6,6-d₃

99 atom % D

• Synonym(s): Caproic acid-6,6,6-d₃
• Linear Formula: CD₃(CH₂)₄CO₂H
• CAS Number: 55320-69-9
• Molecular Weight: 119.18
• NACRES: NA.12
• PubChem Substance ID: 24872347
• UNSPSC Code: 12352106
• MDL number: MFCD00144450
• Isotopic purity: 99 atom % D
• Assay: 99% (CP)
• Mass shift: M+3

Properties

• isotopic purity: 99 atom % D
• Quality Segment: 200
• assay: 99% (CP)
• refractive index: n20/D 1.412 (lit.)
• bp: 202-203 °C (lit.)
• mp: -3 °C (lit.)
• density: 0.951 g/mL at 25 °C
• mass shift: M+3
• SMILES string: [2H]C([2H])([2H])CCCCC(O)=O
• InChI: 1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3
• InChI key: FUZZWVXGSFPDMH-FIBGUPNXSA-N

Description

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1C
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk: WGK 1
• flash_point_f: 215.6 °F - closed cup
• flash_point_c: 102 °C - closed cup