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α-Hexylcinnamaldehyde

α-Hexylcinnamaldehyde structure

CAS No:
101-86-0
Formula:
C15H20O
Chemical Name:
α-Hexylcinnamaldehyde
Synonyms:
Octanal,2-(phenylmethylene)-;Cinnamaldehyde,α-hexyl-;2-(Phenylmethylene)octanal;α-Hexylcinnamaldehyde;Hexyl cinnamic aldehyde;α-n-Hexyl-β-phenylacrolein;α-Hexylcinnamic aldehyde;2-Hexyl-3-phenyl-2-propenal;2-Hexylcinnamaldehyde;α-Hexylcinnamyl aldehyde;α-n-Hexylcinnamaldehyde;NSC 406799;NSC 46150;2-Benzylideneoctanal;Hexyl cinnamal
Categories:
Cosmetic Ingredient > Perfuming

Description

Hexyl cinnamaldehyde has a jasmine-like odor, particularly on dilution. alpha-Hexylcinnamaldehyde is a yellow liquid with a mild, slightly fatty, floral, somewhat herbal odor, and a distinct jasmine note. Similarly to the "-amyl homolog, "-hexylcinnamaldehydemust be protected against oxidation by the addition of stabilizers. It is prepared in a manner similar to that of "-amylcinnamaldehyde by alkaline condensation of excess benzaldehyde with octanal (instead of heptanal). "-Hexylcinnama

Liquid|Pale yellow liquid, jasmine like odour

α-Hexylcinnamaldehyde Basic Attributes

Molecular Weight：

216.32

Exact Mass：

216.32

EC Number：

202-983-3

DSSTox ID：

DTXSID4026684

HScode：

29122990

Characteristics

PSA：

17.1

XLogP3：

4.23930

Appearance：

Liquid

Density：

0.95 g/mL at 25 °C(lit.)

Melting Point：

39.2 °C

Boiling Point：

305 °C

Flash Point：

200 °F

Refractive Index：

n 20/D 1.55(lit.)

Water Solubility：

water: soluble0.005g/L at 25°C

Storage Conditions：

2-8°C

Vapor Pressure：

0.000697mmHg at 25°C

Toxicity：

The acute oral LD 50 value in rats was reported as 3.1 g/kg (2.45-3.75 g/kg) (Moreno, 1971). The acute dermal LD 50 value in rabbits was reported as > 3 g/kg (Moreno, 1971).

Safety Information

Transport codes：

UN 3265 8/PG 3

wgk germany：

hazard class code：

36/37/38-34-43-52/53

safety instructions：

26-36/37/39-45-36-36/37-61

RTECS Number：

GD6560000

Marks：

C,Xi

Precautionary statement(s)：

P280

Hazard Statements：

H317

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.|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

α-Hexylcinnamaldehyde Use and Manufacturing

Methods of Manufacturing

From the condensation of octanal and benzaldehyde.

Uses

α-Hexylcinnamaldehyde is characterized by a typical floral scent, which makes them suitable to be used as fragrances in personal care (perfumes, creams, shampoos, etc.) and household products. It has been also used as flavouring additive in food and pharmaceutical industry.

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|Flavoring Agents -> JECFA Flavorings Index

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
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

Chlorine dioxide

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CAS No.: 101-86-0

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CAS No.: 101-86-0

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Guide of α-Hexylcinnamaldehyde

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