W353701

2,6-Dimethyl-4-heptanone

≥99%

• Synonym(s): Cognac heptanone, Diisobutyl ketone, Isovalerone
• Linear Formula: (CH₃)₂CHCH₂COCH₂CH(CH₃)₂
• CAS Number: 108-83-8
• Molecular Weight: 142.24
• FEMA Number: 3537
• Beilstein: 1743163
• EC Number: 203-620-1
• Council of Europe no.: 11914
• MDL number: MFCD00008940
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901769
• Flavis number: 7.122
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• Agency: meets purity specifications of JECFA
• reg. compliance: FDA 21 CFR 117
• vapor density: 4.9 (vs air)
• vapor pressure: 1.7 mmHg ( 20 °C)
• Assay: ≥99%
• autoignition temp.: 745 °F
• expl. lim.: 0.8-6.2 %, 100 °F
• refractive index: n20/D 1.412 (lit.)
• bp: 165-170 °C (lit.)
• density: 0.808 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: banana; green; ethereal; fruity; pineapple
• SMILES string: CC(C)CC(=O)CC(C)C
• InChI: 1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
• InChI key: PTTPXKJBFFKCEK-UHFFFAOYSA-N

Description

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H335
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 120.2 °F - closed cup
• Flash Point(C): 49 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves