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Merck
CN

W506109

Ethyl chrysanthemate

mixture of cis and trans, ≥95%

Synonym(s):

2,2-Dimethyl-3-(1-isobutenyl)cyclopropane-1-carboxylic acid ethyl ester, Chrysanthemum monocarboxylic acid ethyl ester

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About This Item

Empirical Formula (Hill Notation):
C12H20O2
CAS Number:
97-41-6
Molecular Weight:
196.29
EC Number:
202-579-7
UNSPSC Code:
12164502
PubChem Substance ID:
24902026
Beilstein/REAXYS Number:
2045740
MDL number:
MFCD00001304

Key Documents

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InChI key

VIMXTGUGWLAOFZ-UHFFFAOYSA-N

InChI

1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3

SMILES string

CCOC(=O)C1C(\C=C(\C)C)C1(C)C

biological source

synthetic

assay

≥95%

refractive index

n20/D 1.461 (lit.)

bp

112 °C/10 mmHg (lit.)

density

0.906 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

herbaceous; ethereal; sweet; wine-like

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

183.2 °F - closed cup

flash_point_c

84 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBT5896V
62696MHV
62696MH
00902CH
12431KS

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K Mitsukura et al.
Journal of applied microbiology, 108(4), 1263-1270 (2009-09-26)
Alcaligenes sp. NBRC 14130 was found as a strain hydrolysing a mixture of (+/-)-trans- and (+/-)-cis ethyl chrysanthemates to (1R,3R)-(+)-trans-chrysanthemic acid. The Alcaligenes cells also have hydrolytic activity for 6-aminohexanoate-cyclic dimer (6-AHCD, 1,8-diazacyclotetradecane-2,9-dione). The correlation of function on the enzyme
[Determination of chrysanthemic acid and its ethyl ester in the air of a work area].
N Ia Smoliar
Gigiena i sanitariia, (3)(3), 42-43 (1988-03-01)

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