Triundecanoin
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Triundecanoin
structure -
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CAS No:
13552-80-2
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Formula:
C36H68O6
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Chemical Name:
Triundecanoin
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Synonyms:
Undecanoic acid,1,1′,1′′-(1,2,3-propanetriyl) ester;Undecanoin,tri-;Undecanoic acid,1,2,3-propanetriyl ester;Triundecanoin;Trihendecanoin;n-Trihendecanoin;Glyceryl triundecanoate;Captex 822;CAPTEX 8227
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CAS No:
Characteristics
78.90000
10.57700
0.942g/cm3
24-32ºC
611.6ºC at 760mmHg
243.8ºC
1.461
3.912e-010 mg/L @ 25 °C (est)
-20ºC
6.74E-15mmHg at 25°C
Safety Information
R36/37/38
S26; S36
Xi
P261; P305 + P351 + P338
H315; H319; H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Triundecanoin Use and Manufacturing
Undecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester: INACTIVE
Cosmetics -> Antistatic; Emollient; Hair conditioning; Skin conditioning; Solvent
Computed Properties
Molecular Weight:596.9
XLogP3:13.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:35
Exact Mass:596.50158988
Monoisotopic Mass:596.50158988
Topological Polar Surface Area:78.9
Heavy Atom Count:42
Complexity:584
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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