1,4-Cyclohexanedione
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1,4-Cyclohexanedione
structure -
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CAS No:
637-88-7
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Formula:
C6H8O2
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Chemical Name:
1,4-Cyclohexanedione
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Synonyms:
1,4-Cyclohexanedione;Tetrahydroquinone;1,4-Dioxocyclohexane;1,4-Cyclohexadione;NSC 7192;Cyclohexan-1,4-dione
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CAS No:
Description
tan or yellow crystalline powder
Cyclohexane-1,4-dione is a cyclohexanedione with oxo substituents at positions 1 and 4.
1,4-Cyclohexanedione Basic Attributes
112.128
112.13
211-306-0
BJS27Z99AM
7192
DTXSID6060929
2914299000
Characteristics
34.1
-0.6
yellow to beige crystalline powder
0.9165 g/cm3 @ Temp: 20 °C
78 °C
212-213 °C
82.2±22.4 °C
1.474
Refrigerator (+4ºC)
Safety Information
NONH for all modes of transport
3
S22-S24/25
Xi: Irritant;
Stable. Combustible. Incompatible with strong oxidizing agents.
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 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:112.13
XLogP3:-0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:98.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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