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Merck
CN

W338818

2-Tridecanone

≥96%, FG

Synonym(s):

Methyl undecyl ketone

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About This Item

Linear Formula:
CH3(CH2)10COCH3
CAS Number:
593-08-8
Molecular Weight:
198.34
FEMA Number:
3388
Council of Europe no.:
11194
UNSPSC Code:
12164502
PubChem Substance ID:
24901682
Flavis number:
7.103
EC Number:
209-784-0
NACRES:
NA.21
MDL number:
MFCD00008968
Beilstein/REAXYS Number:
1757402
Organoleptic:
coconut; dairy; fatty; waxy; earthy
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCCCCCCCCCC(C)=O

InChI

1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3

InChI key

CYIFVRUOHKNECG-UHFFFAOYSA-N

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002

assay

≥96%

refractive index

n20/D 1.435 (lit.)

bp

134 °C/10 mmHg (lit.), 263 °C (lit.)

mp

24-27 °C (lit.)

density

0.822 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

coconut; dairy; fatty; waxy; earthy

Quality Level

300, 400

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General description

2-Tridecanone occurs naturally in the glandular trichomes of Lycopersicon hirsutum f. glabratum, a wild tomato species. This allelochemical is responsible for its insecticidal resistance against Lepidopterous larvae and Heliothis zea.

pictograms

Environment
GHS09

signalword

Warning

hcodes

H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

flash_point_f

224.6 °F - closed cup

flash_point_c

107 °C - closed cup

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ4722
SHBQ4724
SHBP9578
STBK1632
STBJ7515

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2?tridecanone, tomatoes and Heliothis zea: potential incompatibility of plant antibiosis with insecticidal control.
Kennedy GG, et al.
Entomologia Experimentalis et Applicata, 35(3), 305-311 (1984)
2-Tridecanone: a naturally occurring insecticide from the wild tomato Lycopersicon hirsutum f. glabratum
Williams WG, et al.
Science, 207(4433), 888-889 (1980)
Toxicity studies of analogs of 2-tridecanone, a naturally occurring toxicant from a wild tomato.
Dimock MB, et al.
Journal of Chemical Ecology, 8(5), 837-842 (1982)
Michael A Birkett et al.
Journal of chemical ecology, 30(7), 1319-1328 (2004-10-27)
Air entrainment samples of volatiles from panicles of intact wheat, Triticum aestivum, cultivar 'Lynx' were collected at the ear emergence/early anthesis growth stage. In an olfactometer bioassay, both freshly cut panicles and an air entrainment sample were found to attract
Geng Yu et al.
Plant physiology, 154(1), 67-77 (2010-07-08)
The trichomes of the wild tomato species Solanum habrochaites subsp. glabratum synthesize and store high levels of methylketones, primarily 2-tridecanone and 2-undecanone, that protect the plants against various herbivorous insects. Previously, we identified cDNAs encoding two proteins necessary for methylketone
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