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W510106

3-Pentanone

≥99%

Synonym(s):

Diethyl ketone

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About This Item

Linear Formula:
CH3CH2COCH2CH3
CAS Number:
96-22-0
Molecular Weight:
86.13
Flavis number:
7.084
PubChem Substance ID:
24902048
UNSPSC Code:
12164502
Council of Europe no.:
2350
NACRES:
NA.21
EC Number:
202-490-3
MDL number:
MFCD00009320
Beilstein/REAXYS Number:
635749
Organoleptic:
ethereal
Biological source:
synthetic
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

300

vapor density

3 (vs air)

vapor pressure

20 mmHg ( 28 °C), 28.1 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

845 °F

refractive index

n20/D 1.392 (lit.)

pH

6.2 (20 °C, 50 g/L)

bp

101.5 °C (lit.)

mp

−42 °C (lit.)

density

0.813 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

ethereal

SMILES string

CCC(=O)CC

InChI

1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChI key

FDPIMTJIUBPUKL-UHFFFAOYSA-N

General description

3-Pentanone is a volatile alcohol that is reported to occur in amaranthus, guava, and roasted coffee.

Disclaimer

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

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

44.6 °F

flash_point_c

7 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT0735
SHBS8150
SHBR4498
SHBQ8990
SHBP9233

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The volatile constituents of roasted coffee.
Johnston WR & Frey CN
Journal of the American Chemical Society, 60(7), 1624-1627 (1938)
Volatile constituents of guava fruits (Psidium guajava L.) and canned puree.
Nishimura O, et al.
Journal of Agricultural and Food Chemistry, 37(1), 139-142 (1989)
Identification of volatile allelochemicals fromAmaranthus palmeri S. Wats.
Connick WJ, et al.
Journal of Chemical Ecology, 13(3), 463-472 (1987)
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