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(2E)-2-(Phenylmethylene)octanal

(2E)-2-(Phenylmethylene)octanal structure

CAS No:
165184-98-5
Formula:
C15H20O
Chemical Name:
(2E)-2-(Phenylmethylene)octanal
Synonyms:
Octanal,2-(phenylmethylene)-,(2E)-;Octanal,2-(phenylmethylene)-,(E)-;(2E)-2-(Phenylmethylene)octanal;2-Hexyl-(E)-cinnamaldehyde;(E)-2-Benzylideneoctanal;(E)-2-Benzylideneoctanal;trans-2-Benzylideneoctanal;(2E)-2-Benzylideneoctanal

Description

Liquid|Pale yellow liquid, jasmine like odour

Alpha-hexylcinnamaldehyde is a member of the class of cinnamaldehydes carrying a hexyl substituent at the alpha-position. It derives from an (E)-cinnamaldehyde.

(2E)-2-(Phenylmethylene)octanal Basic Attributes

Molecular Weight：

216.32 g/mol

Exact Mass：

216.32

EC Number：

639-566-4|202-983-3

UNII：

E9947QRR9O

NSC Number：

406799|46150

DSSTox ID：

DTXSID4026684

Characteristics

PSA：

17.1 Å²

XLogP3：

5.332 (est)

Density：

0.950-0.961

Melting Point：

39.2 °C|4°C

Boiling Point：

308.07°C.@760.00mmHg(est)

Refractive Index：

1.547-1.553

Water Solubility：

2.75 mg/L @ 25 °C (est)|insoluble in water; miscible in oils|miscible (in ethanol)

Safety Information

GHS Classification：

|Warning|H317 (99.71%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 2411 companies from 32 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501

Drug Information

MeSH Entry Terms：

2-hexyl-3-phenyl-2-propenal

(2E)-2-(Phenylmethylene)octanal Use and Manufacturing

Uses

Flavor and Fragrance

Air care products

Production

10,000,000 - 50,000,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Octanal, 2-(phenylmethylene)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:216.32
XLogP3:4.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:216.151415257
Monoisotopic Mass:216.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:212
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2E)-2-(Phenylmethylene)octanal

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

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