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3-Octen-2-ol

3-Octen-2-ol structure

CAS No:
76649-14-4
Formula:
C8H16O
Chemical Name:
3-Octen-2-ol
Synonyms:
3-Octen-2-ol

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Description

Colourless liquid; sweet, creamy, buttery lactone odour

3-Octen-2-ol Basic Attributes

Molecular Weight：

128.21

Exact Mass：

128.21

EC Number：

278-508-9

Characteristics

PSA：

20.23000

XLogP3：

2.11360

Density：

0,84 g/cm3

Melting Point：

-31.5°C (estimate)

Boiling Point：

98°C 2mm

Refractive Index：

1.4400

Water Solubility：

insoluble in water and fats|Miscible at room temperature (in ethanol)

PKA：

14.77±0.20

Safety Information

hazard class code：

36/37/38-36

safety instructions：

26-36/37/39

Marks：

3-Octen-2-ol Use and Manufacturing

Manufacturing Info：

3-Octen-2-ol: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:128.21
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:76.6
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Octen-2-ol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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