(+)-trans-Chrysanthemic acid
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(+)-trans-Chrysanthemic acid
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CAS No:
4638-92-0
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Formula:
C10H16O2
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Chemical Name:
(+)-trans-Chrysanthemic acid
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Synonyms:
Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,(1R,3R)-;Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methylpropenyl)-,(1R,3R)-(+)-;Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propenyl)-,(1R-trans)-;Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propenyl)-,(1R,3R)-;(1R,3R)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylic acid;d-trans-Chrysanthemumic acid;d-trans-Chrysanthemummonocarboxylic acid;d-trans-Chrysanthemic acid;(+)-trans-Chrysanthemic acid;trans-(+)-Chrysanthemic acid;(+)-trans-Chrysanthemumic acid;1R,3R-(+)-trans-Chrysanthemic acid;(+)-trans-2,2-Dimethyl-3-isobutenyl-1-cyclopropanecarboxylic acid;(1R-trans)-Chrysanthemic acid;(1R,3R)-Chrysanthemic acid;(1R)-trans-3-(2-Methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid;(1R)-trans-3-(2-Methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid
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CAS No:
Description
clear colorless to yellow liquid
(+)-trans-chrysanthemic acid is a trans-chrysanthemic acid in which both stereocentres have R configuration. It derives from a (R,R)-chrysanthemal. It is a conjugate acid of a (R,R)-chrysanthemate. It is an enantiomer of a (-)-trans-chrysanthemic acid.
Characteristics
37.30000
2.30940
Clear colorless to yellow Liquid
1.077 g/cm3
17 °C
246.4ºC at 760 mmHg
119ºC
1.477
0-6°C
D25 +14.16° (c = 1.554 in abs alc)
Safety Information
NONH for all modes of transport
3
36/38
26
GZ1280000
Xi
P305 + P351 + P338
H315-H319
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(+)-trans-Chrysanthemic acid Use and Manufacturing
Organic synthetic raw materials for the synthesis of photocuring agent 184, anti-pregnancy drug 392 and praziquantel for the treatment of blood-sucking diseases.
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3R)-: ACTIVE
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]|Environmental transformation -> Pesticide transformation products (metabolite, successor)
Chrysanthemic acid is a known environmental transformation product of Pyrethrin.
Computed Properties
Molecular Weight:168.23
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:234
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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