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W254509

Sigma-Aldrich

3-Heptanone

96%

Synonym(s):

Butyl ethyl ketone, Ethyl butyl ketone

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About This Item

Linear Formula:
CH3(CH2)3COC2H5
CAS Number:
106-35-4
Molecular Weight:
114.19
FEMA Number:
2545
Beilstein:
506161
EC Number:
203-388-1
Council of Europe no.:
137
MDL number:
MFCD00009483
UNSPSC Code:
12164502
PubChem Substance ID:
24901132
Flavis number:
7.003
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
FDA 21 CFR 172.515

Assay

96%

refractive index

n20/D 1.408 (lit.)

bp

146-149 °C (lit.)

mp

−39 °C (lit.)

density

0.818 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

fatty; green; fruity

SMILES string

CCCCC(=O)CC

InChI

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

InChI key

NGAZZOYFWWSOGK-UHFFFAOYSA-N

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Disclaimer

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H332

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

100.4 °F - closed cup

Flash Point(C)

38 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP1636
SHBM3774
SHBL2413
MKCD2764
MKBW0991V

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Effects of methyl n-butyl ketone and ethyl n-butyl ketone on fixed ratio, fixed interval performance of rats.
I Geller et al.
Proceedings of the Western Pharmacology Society, 24, 105-108 (1981-01-01)
J L O'Donoghue et al.
Toxicology and applied pharmacology, 72(2), 201-209 (1984-02-01)
Ethyl n-butyl ketone (EBK, 3-heptanone) has not been reported to produce neurotoxicity in previous studies when it was given by oral or inhalation routes. In the present study, EBK given by gavage at 2 g/kg/day, 5 days/week for 14 weeks
Paweł Mochalski et al.
Cell biochemistry and biophysics, 71(1), 323-329 (2014-08-16)
Gas chromatography with mass spectrometric detection combined with head-space needle trap extraction as the pre-concentration technique was applied to identify and quantify volatile organic compounds released or metabolised by human umbilical vein endothelial cells. Amongst the consumed species there were
Brian D Fitz et al.
Journal of chromatography. A, 1392, 82-90 (2015-03-31)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at

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