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W309311

Sigma-Aldrich

2-Undecanone

natural, FCC, FG

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Synonym(s):
Methyl nonyl ketone
Linear Formula:
CH3(CH2)8COCH3
CAS Number:
112-12-9
Molecular Weight:
170.29
FEMA Number:
3093
Beilstein:
1749573
EC Number:
203-937-5
Council of Europe no.:
150c
MDL number:
MFCD00009583
PubChem Substance ID:
329830563
Flavis number:
7.016
NACRES:
NA.21

grade

FG
Halal
natural

Quality Level

400

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

vapor density

5.9 (vs air)

vapor pressure

<1 mmHg ( 20 °C)

refractive index

n20/D 1.43 (lit.)

bp

231-232 °C (lit.)

mp

11-13 °C (lit.)

density

0.825 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

fatty; waxy; fruity

SMILES string

CCCCCCCCCC(C)=O

InChI

1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

InChI key

KYWIYKKSMDLRDC-UHFFFAOYSA-N

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General description

2-Undecanone occurs naturally in wild tomato. It is also found in Ruta chalepensis essential oil and hop oil. Due to its insect repellant activity, 2-undecanone is being considered as a natural non-toxic alternative to N,N-diethyl-3-methylbenzamide or DEET.

Biochem/physiol Actions

Taste: @ 10 ppm.

Pictograms

Environment
GHS09

Signal Word

Warning

Hazard Statements

H410

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

192.2 °F - closed cup

Flash Point(C)

89 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Release characteristics of the non-toxic insect repellant 2-undecanone from its crystalline inclusion compound with ?-cyclodextrin.
Whang HS & Tonelli A.
Journal of Inclusion Phenomena and Macrocyclic Chemistry, 62(1-2), 127-134 (2008)
2?Undecanone, a constituent of the glandular trichomes of Lycopersicon hirsutum f. glabratum: Effects on Heliothis zea and Manduca sexta growth and survival.
Farrar RR & Kennedy GG.
Entomologia Experimentalis et Applicata, 43(1), 17-23 (1987)
Novel arthropod repellent, BioUD, is an efficacious alternative to deet.
Witting-Bissinger BE, et al.
Journal of Medical Entomology, 45(5), 891-898 (2008)
Constituents of the essential oil of Ruta chalepensis L. from Turkey.
Baser KHC, et al.
J. Essent. Oil Res., 8(4), 413-414 (1996)
Mosciano, G.
Perfumer & Flavorist, 27, 71-71 (2002)
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