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6-Methylheptanal

6-Methylheptanal structure

CAS No:
63885-09-6
Formula:
C8H16O
Chemical Name:
6-Methylheptanal
Synonyms:
Heptanal,6-methyl-;6-Methylheptanal;Isocaprylic aldehyde

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Description

Clear colourless liquid; Citrusy green aroma

6-Methylheptanal Basic Attributes

Molecular Weight：

128.21 g/mol

Exact Mass：

128.21

EC Number：

258-146-8|613-393-4

UNII：

F9U11Z3D65

DSSTox ID：

DTXSID9068798

Characteristics

PSA：

17.1 Å²

XLogP3：

2.40170

Density：

0.806-0.816

Boiling Point：

50-55 °C @ Press: 8 Torr

Refractive Index：

1.411-1.416

Water Solubility：

Practically insoluble to insoluble in water|Soluble (in ethanol)

Safety Information

GHS Classification：

|Warning|H226 (34.72%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1374 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Methylheptanal Use and Manufacturing

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:128.21
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:67
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Methylheptanal

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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