W254401

2-Heptanone

≥98%, FCC, FG

• Synonym(s): Methyl pentyl ketone
• Linear Formula: CH₃(CH₂)₄COCH₃
• CAS Number: 110-43-0
• Molecular Weight: 114.19
• FEMA Number: 2544
• Beilstein/REAXYS Number: 1699063
• EC Number: 203-767-1
• Council of Europe no.: 136
• MDL number: MFCD00009513
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901131
• Flavis number: 7.002
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• vapor density: 3.94 (vs air)
• vapor pressure: 2.14 mmHg ( 20 °C)
• assay: ≥98%
• form: liquid
• autoignition temp.: 739 °F
• expl. lim.: 1.11 %, 65 °F; 7.9 %, 121 °F
• refractive index: n20/D 1.408 (lit.)
• bp: 149-150 °C (lit.)
• mp: −35 °C (lit.)
• density: 0.82 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• organoleptic: banana; creamy; fruity; waxy; cheesy
• SMILES string: CCCCCC(C)=O
• InChI: 1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
• InChI key: CATSNJVOTSVZJV-UHFFFAOYSA-N

Description

General description

2-Heptanone is a linear ketone. It has been produced in the cultures of Penicillium commune and Paecilomycet variotii cultivated on pine wood.

2-Heptanone is an aroma compound. It is a bioactive agent and has potential as a pesticide. Kinetics of release of 2-heptanone incorporated into lipid films or composite solid lipid particle (SLP) films have been investigated. 2-Heptanone is secreted by the mandibular glands of honeybees when they bite. It is reported to act as an anaesthetic in small arthropods, such as wax moth larva (WML) and Varroa mites, which are paralysed after a honeybee bite.

Application

2-Heptanone may be employed as solvent to determine the protection effectiveness of glove materials against solvents present in a commonly used automotive clear coat formulation using a novel permeation panel. It may be used in a study to investigate the influence of oxidation-induced structural modifications of myofibrillar protein on its binding ability with aroma compounds.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302 + H332,H336
• pcodes: P210 - P233 - P240 - P241 - P301 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 105.8 °F - closed cup
• flash_point_c: 41 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter