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Safety Information

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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W254509-VAR-K:
W254509-4KG-K:
W254509-1KG:
W254509-SAMPLE:
W254509-1KG-K:4548174019795
W254509-BULK:
W254509-SAMPLE-K:
W254509-8KG:
W254509-BULK-K:
W254509-VAR:
W254509-4KG:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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)
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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