(±)-Disparlure - CAS 29804-22-6
Catalog:
BB054375
Product Name:
(±)-Disparlure
CAS:
29804-22-6
Synonyms:
(±)-cis-Disparlure; 7,8-cis-Epoxy-2-methyloctadecane; Disparlure; Atralymon; Epoxan
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BB054375
10 mg
$298
In stock
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9
BB054375
1 g
$4999
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0
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IUPAC Name: (2R,3S)-2-decyl-3-(5-methylhexyl)oxirane
Description: (±)-Disparlure is a pheromone that can be used in agriculture.
Molecular Weight: 282.512
Molecular Formula: C19H38O
Canonical SMILES: CCCCCCCCCCC1C(O1)CCCCC(C)C
InChI: InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1
InChI Key: HFOFYNMWYRXIBP-MOPGFXCFSA-N
Boiling Point: 340.6 °C at 760 mmHg
Purity: 95 %
Density: 0.844 g/cm3
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word: Warning
Complexity: 212
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Exact Mass: 282.292265831
Formal Charge: 0
Heavy Atom Count: 20
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 282.292265831
Rotatable Bond Count: 14
Topological Polar Surface Area: 12.5
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 8.2
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