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W254606

Sigma-Aldrich

4-Heptanone

≥97%, FG

Synonym(s):

Butyrone, Dipropyl ketone

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About This Item

Linear Formula:
(CH3CH2CH2)2CO
CAS Number:
123-19-3
Molecular Weight:
114.19
FEMA Number:
2546
Beilstein:
1699049
EC Number:
204-608-9
Council of Europe no.:
2034
MDL number:
MFCD00009403
UNSPSC Code:
12164502
PubChem Substance ID:
24901133
Flavis number:
7.058
NACRES:
NA.21

biological source

synthetic

grade

FG
Fragrance grade
Halal

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

3.93 (vs air)

vapor pressure

5.2 mmHg ( 20 °C)

Assay

≥97%

refractive index

n20/D 1.407 (lit.)

bp

145 °C (lit.)

mp

−33 °C (lit.)

density

0.817 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

cheese; fruity; pineapple; sweet

SMILES string

CCCC(=O)CCC

InChI

1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3

InChI key

HCFAJYNVAYBARA-UHFFFAOYSA-N

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Biochem/physiol Actions

Taste at 5 ppm

Other Notes

Natural occurrence: Baked potato, cabbage, coffee, papaya, roasted peanut.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H332

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ8564
STBJ7144
STBJ2977
STBJ0729
STBH7082

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Ingrid Kohl et al.
Journal of breath research, 7(1), 017110-017110 (2013-03-01)
We report on the search for low molecular weight molecules-possibly accumulated in the bloodstream and body-in the exhaled breath of uremic patients with kidney malfunction. We performed non-invasive analysis of the breath gas of 96 patients shortly before and several
Mae Sheikh-Ali et al.
Diabetes care, 31(4), 643-647 (2008-01-11)
Current criteria for the diagnosis of diabetic ketoacidosis (DKA) are limited by their nonspecificity (serum bicarbonate [HCO(3)] and pH) and qualitative nature (the presence of ketonemia/ketonuria). The present study was undertaken to determine whether quantitative measurement of a ketone body
Kathleen M Dungan et al.
Diabetes care, 29(6), 1214-1219 (2006-05-30)
Postprandial hyperglycemia is often inadequately assessed in diabetes management. Serum 1,5-anhydroglucitol (1,5-AG) drops as serum glucose rises above the renal threshold for glucose and has been proposed as a marker for postprandial hyperglycemia. The objective of this study is to
C S Shin et al.
Diabetes care, 24(4), 733-737 (2001-04-24)
The production of reactive oxygen species is increased in diabetic patients, especially in those will poor glycemic control. We have investigated oxidative damage in type 2 diabetic patients using serum 8-hydroxyguanine (8-OHG) as a biomarker. We studied 41 type 2
H G Wahl et al.
Journal of chromatography. A, 847(1-2), 117-125 (1999-08-04)
A multipurpose sampler (Gerstel MPS), designed for liquid large volume, gaseous and headspace samples was used for the GC-MS analysis of organic volatiles in human urine. Headspace sampling with a volume-, temperature- and speed-controlled gas-tight syringe was combined with a
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Protocols

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