1,4-Dioxaspiro[4.5]decan-8-one
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![1,4-Dioxaspiro[4.5]decan-8-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c051f823b243423890968792c9679ef5.png "1,4-Dioxaspiro[4.5]decan-8-one")
1,4-Dioxaspiro[4.5]decan-8-one
structure -
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CAS No:
4746-97-8
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Formula:
C8H12O3
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Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-one
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Synonyms:
1,4-Dioxaspiro[4.5]decan-8-one;1,4-Cyclohexanedione,cyclic 1,2-ethanediyl acetal;4,4-(Ethylenedioxy)cyclohexanone;1,4-Cyclohexanedione cyclic ethylene monoketal;8-Oxo-1,4-dioxaspiro[4.5]decane;1,4-Cyclohexanedione monoethylene acetal;Cyclohexane-1,4-dione mono(ethylene glycol ketal);1,4-Cyclohexanedione mono(ethylene ketal);4-(Ethylenedioxy)cyclohexanone;1,4-Dioxaspiro[4.5]decane-8-one;1,4-Cyclohexanedione ethylene monoketal;Cyclohexan-1,4-dione monoethylene ketal;1257108-67-0
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CAS No:
Characteristics
35.5
-0.1
Off-white crystalline
1.2±0.1 g/cm3
73.5-74.5 °C
125-128 °C @ Press: 12 Torr
106.7±13.8 °C
1.489
Safety Information
NONH for all modes of transport
3
R36/37/38
S22-S24/25-S36/37/39-S26
Xi:Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 7 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,4-Dioxaspiro[4.5]decan-8-one Use and Manufacturing
1,4-Dioxaspiro[4.5]decan-8-one is used in the preparation of series of potent analgesic compounds. 1,4-Cyclohexanedione Monoethylene Acetal is also used as a building block in the synthesis of tritium labelled probes for the autoradiography study of the dopamine reuptake complex. Intermediates of Liquid Crystals
Computed Properties
Molecular Weight:156.18
XLogP3:-0.1
Hydrogen Bond Acceptor Count:3
Exact Mass:156.078644241
Monoisotopic Mass:156.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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