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Propenylguaethol

Propenylguaethol structure

CAS No:
94-86-0
Formula:
C11H14O2
Chemical Name:
Propenylguaethol
Synonyms:
Phenol,2-ethoxy-5-(1-propen-1-yl)-;Phenol,2-ethoxy-5-propenyl-;Phenol,2-ethoxy-5-(1-propenyl)-;m-Anol,6-ethoxy-;2-Ethoxy-5-(1-propen-1-yl)phenol;6-Ethoxy-m-anol;1-Ethoxy-2-hydroxy-4-propenylbenzene;2-Ethoxy-5-propenylphenol;Hydroxy methyl anethol;Propenylguaethol;Isosafroeugenol;Vanitrope;NSC 5194;5-Propenylguaethol;Propenylguaetol;2-Ethoxy-5-prop-1-enylphenol
Categories:
Cosmetic Ingredient > Perfuming

Description

Free-flowing, white powder; odor and taste similar to vanilla, but much more powerful.Very soluble in fats, edible solvents, and essential oils; very slightly soluble in water. PROPENYL GUAETHOL exists in (Z)- (mp 35–36°C), [876306-58-0], and in (E)- (mp 86°C), [63477-41-8] forms. The (E)-isomer has a sweet vanilla-like odor. Propenylguethol can be prepared from isosafrole by reaction with methylmagnesium chloride or by ethylation of isoeugenol followed by selective demethylation with alkali .

Propenylguaethol Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.23

EC Number：

202-370-0

HScode：

2909500000

Characteristics

PSA：

29.5

XLogP3：

2.90

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

86 °C

Boiling Point：

116°C/2mmHg(lit.)

Flash Point：

165.2±9.5 °C

Refractive Index：

1.567

Water Solubility：

Insoluble in water

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

SL3850000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 365 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Propenylguaethol Use and Manufacturing

Methods of Manufacturing

It is made by alkaline hydrolysis of 1-ethoxy-2-methoxy-4-propenylbenzene in ethanol or methanol solution at 150～190℃ under pressure; or in glycol solution at normal pressure Hydrolyzed under heating. It is obtained from 1-ethoxy-2-methoxy-4-propenylbenzene as raw material, saponification and simultaneous double bond displacement.

Uses

GB 2760-1996 stipulates that it is temporarily allowed to use edible spices. Mainly used as a substitute for vanillin and chocolate flavor.

Manufacturing Info：

Phenol, 2-ethoxy-5-(1-propen-1-yl)-: ACTIVE

Computed Properties

Molecular Weight:178.23
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:29.5
Heavy Atom Count:13
Complexity:166
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propenylguaethol

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

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