1,8-Octanedithiol
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1,8-Octanedithiol
structure -
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CAS No:
1191-62-4
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Formula:
C8H18S2
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Chemical Name:
1,8-Octanedithiol
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Synonyms:
1,8-Octanedithiol;1,8-Octamethylenedithiol
- Categories:
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CAS No:
Description
liquid 1,8-Octanedithiol has a sulfurous, meaty odor. FEMA indicates that total dithiol added to any food should not exceed 1.0 ppm
Liquid
1,8-Octanedithiol is an alkanethiol.
1,8-Octanedithiol Basic Attributes
178.36
178.36
1735431
214-738-8
KH3W3161HS
DTXSID8047474
29309090
Characteristics
77.60000
3.87
Colorless to pale yellow Liquid
0.97 g/mL at 25 °C(lit.)
1°C(lit.)
101 °C @ Press: 1 Torr
>230 °F
n 20/D 1.505(lit.)
insoluble in water; miscible in oil
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.012mmHg at 25°C
Safety Information
UN 1170
3
22-36/37/38-20/21/22
36-36/37/39-26
RG9610000
Xn
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 135 companies from 4 notifications to the ECHA C&L Inventory.
1,8-Octanedithiol Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:178.4
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:178.08499292
Monoisotopic Mass:178.08499292
Topological Polar Surface Area:2
Heavy Atom Count:10
Complexity:47.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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