3,6-Dimethyl-3-octanol
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3,6-Dimethyl-3-octanol
structure -
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CAS No:
151-19-9
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Formula:
C10H22O
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Chemical Name:
3,6-Dimethyl-3-octanol
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Synonyms:
3-Octanol,3,6-dimethyl-;3,6-Dimethyl-3-octanol;AR 1;Aprol 100;NSC 5613
- Categories:
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CAS No:
Characteristics
20.23000
2.97370
colorless clear liquid
0.828 g/mL at 20 °C(lit.)
-67.5 °C
202.2 °C
203 °F
n 20/D 1.436(lit.)
<0.01 mm Hg ( 20 °C)
5.4 (vs air)
Both the acute oral LD 50 value in rats and the acute dermal LD 50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
Safety Information
1
R36/37/38
23-26-36
Xi
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501
H315
3,6-Dimethyl-3-octanol Use and Manufacturing
3-Octanol, 3,6-dimethyl-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:158.28
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:158.167065321
Monoisotopic Mass:158.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:101
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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