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Safety Information

W329002

Sigma-Aldrich

3-Hexanone

≥97%

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Synonym(s):
Ethyl propyl ketone
Linear Formula:
CH3CH2CH2COC2H5
CAS Number:
589-38-8
Molecular Weight:
100.16
FEMA Number:
3290
Beilstein:
1738025
EC Number:
209-645-4
Council of Europe no.:
4125
MDL number:
MFCD00009402
UNSPSC Code:
12164502
PubChem Substance ID:
24901614
Flavis number:
7.096
NACRES:
NA.21

biological source

synthetic

Quality Level

400

Assay

≥97%

refractive index

n20/D 1.400 (lit.)

bp

123 °C (lit.)

density

0.815 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

fruity; waxy; sweet

SMILES string

CCCC(=O)CC

InChI

1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

InChI key

PFCHFHIRKBAQGU-UHFFFAOYSA-N

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General description

3-Hexanone has been reported as one of the volatile organic compounds (VOCs) in pandan leaves, strawberry and acerola fruit.

Disclaimer

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

Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225

Precautionary Statements

P210

Hazard Classifications

Flam. Liq. 2

WGK

WGK 3

Flash Point(F)

57.2 °F

Flash Point(C)

14 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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Volatile composition of pandan leaves (Pandanus amaryllifolius).
Flavor chemistry of ethnic foods, 105-109 (1999)
Metabolism of natural volatile compounds by strawberry fruit.
Hamilton-Kemp TR, et al.
Journal of Agricultural and Food Chemistry, 44(9), 2802-2805 (1996)
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit.
Pino JA & Marbot R.
Journal of Agricultural and Food Chemistry, 49(12), 5880-5882 (2001)
Blas Agut et al.
The New phytologist, 207(3), 790-804 (2015-03-17)
The citrus rootstocks sour orange and Cleopatra mandarin display differential resistance against Tetranychus urticae. Sour orange plants support reduced oviposition, growth rates and damage compared with Cleopatra mandarin plants. Jasmonic acid signalling and flavonoid accumulation have been revealed as key
Profile of volatile metabolites in human urine.
A Zlatkis et al.
Clinical chemistry, 17(7), 592-594 (1971-07-01)
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