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W254401

Sigma-Aldrich

2-Heptanone

≥98%, FCC, FG

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Synonym(s):
Methyl pentyl ketone
Linear Formula:
CH3(CH2)4COCH3
CAS Number:
110-43-0
Molecular Weight:
114.19
FEMA Number:
2544
Beilstein:
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

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

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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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302 + H332

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

WGK

WGK 1

Flash Point(F)

105.8 °F

Flash Point(C)

41 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Anna-Sara Claeson et al.
Journal of environmental monitoring : JEM, 4(5), 667-672 (2002-10-29)
Growth of different microorganisms is often related to dampness in buildings. Both fungi and bacteria produce complicated mixtures of volatile organic compounds that include hydrocarbons, alcohols, ketones, sulfur- and nitrogen-containing compounds etc. Microbially produced substances are one possible explanation of
Feibai Zhou et al.
Journal of agricultural and food chemistry, 62(39), 9544-9552 (2014-09-02)
The objective of this study was to investigate the influence of oxidation-induced structural modifications of myofibrillar protein on its binding ability with aroma compounds such as 2-methyl-butanal, methional, 2-pentanone, 2-heptanone, and nonanal. A method using solid-phase microextraction (SPME) combined with
Diana M Ceballos et al.
The Annals of occupational hygiene, 59(3), 358-372 (2014-12-03)
Determine protection effectiveness of 5-mil natural rubber latex (0.13-mm), 5-mil nitrile rubber (0.13-mm), and 13-mil butyl rubber (0.33-mm) glove materials against solvents present in a commonly used automotive clear coat formulation using a novel permeation panel. The latex and nitrile
Cristina Bilbao-Sáinz et al.
Pest management science, 69(8), 975-982 (2013-01-29)
Controlled-release formulations of bioactive agents are of increasing interest for effective pest control. Volatile 2-heptanone is a bioactive agent that has shown potential as a pesticide. The aim of this study was to investigate the kinetics of release of 2-heptanone
Ana G Gutiérrez-García et al.
Physiology & behavior, 91(1), 166-172 (2007-04-06)
The present study was aimed to determine whether the urine from donor rats, which were physically stressed (UD-PS) by unavoidable electric footshocks, produces despair in receptor partner rats (RP) in the long-term. For each trial, an RP rat was placed
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