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7,8-Dihydro-3,4-dehydro-β-ionol

7,8-Dihydro-3,4-dehydro-β-ionol structure

CAS No:
57069-86-0
Formula:
C13H22O
Chemical Name:
7,8-Dihydro-3,4-dehydro-β-ionol
Synonyms:
1,3-Cyclohexadiene-1-propanol,α,2,6,6-tetramethyl-;α,2,6,6-Tetramethyl-1,3-cyclohexadiene-1-propanol;4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanol;7,8-Dihydro-3,4-dehydro-β-ionol

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7,8-Dihydro-3,4-dehydro-β-ionol Basic Attributes

Molecular Weight：

194.31 g/mol

Exact Mass：

194.31

EC Number：

611-458-1

Characteristics

PSA：

20.2 Å²

XLogP3：

3.937 (est)

Density：

0.918-0.926

Boiling Point：

80.00°C.@1.00mmHg

Refractive Index：

1.489-1.496

Water Solubility：

16.29 mg/L @ 25 °C (est)|soluble in alcohol and most fixed oils; insoluble in water

7,8-Dihydro-3,4-dehydro-β-ionol Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:194.31
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:194.167065321
Monoisotopic Mass:194.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:258
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7,8-Dihydro-3,4-dehydro-β-ionol

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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