ChemicalBook--->CAS DataBase List--->94-86-0

94-86-0

94-86-0 Structure

94-86-0 Structure
IdentificationMore
[Name]

PROPENYL GUAETHOL
[CAS]

94-86-0
[Synonyms]

2-ETHOXY-5-(1-PROPENYL)PHENOL
2-ETHOXY-5-PROP-1-ENYLPHENOL
2-ETHOXY-5-PROPENYLPHENOL
5-PROPENYLGUAETHOL
6-ETHOXY-M-ANOL
FEMA 2922
PROPENYL GUAETHOL
TRANS-2-ETHOXY-5-(1-PROPENYL)PHENOL
VANITROPE
1-ethoxy-2-hydroxy-4-propenylbenzene
2-ethoxy-5-(1-propenyl)-pheno
2-ethoxy-5-propenyl-pheno
hydroxymethylanethol
isosafroeugenol
PROPENYL GUAETHOL 99+% FCC
5-Propenyl-2-ethoxyphenol
Phenol, 2-ethoxy-5-(1-propenyl)-
VANIBON
1-ETHOXY-2-HYDROXY-4-PROP-1-ENYLBENZENE
[EINECS(EC#)]

202-370-0
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00009283
[Molecular Weight]

178.23
[MOL File]

94-86-0.mol
Chemical PropertiesBack Directory
[Appearance]

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.
[Melting point ]

86-88 °C(lit.)
[Boiling point ]

116°C/2mmHg(lit.)
[density ]

1.0196 (rough estimate)
[FEMA ]

2922
[refractive index ]

1.5670 (estimate)
[storage temp. ]

2-8°C
[solubility ]

10% soluble in alcohol, 4 % soluble in Propylene glycol, 4 % soluble in Polysorbate 80, 20% soluble in Benzylalcohol, soluble in most perfume and flavor oils.
[Water Solubility ]

Insoluble in water
[form ]

powder to crystal
[pka]

10.02±0.10(Predicted)
[color ]

White to Almost white
[Odor]

at 10.00 % in dipropylene glycol. sweet vanilla woody tobacco spicy phenolic powdery
[biological source]

synthetic
[Odor Type]

vanilla
[JECFA Number]

1264
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
[InChIKey]

RADIRXJQODWKGQ-HWKANZROSA-N
[SMILES]

CCOc1ccc(\C=C\C)cc1O
[LogP]

2.90
[Uses]

Artificial vanilla flavoring, flavor enhancer.
[CAS DataBase Reference]

94-86-0(CAS DataBase Reference)
[EPA Substance Registry System]

94-86-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

SL3850000
[TSCA ]

TSCA listed
[HS Code ]

2909500090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Allylbenzene
[Preparation Products]

Ethyl vanillin-->ISOEUGENOL
Hazard InformationBack Directory
[Chemical Properties]

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.
[Chemical Properties]

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 .
[Chemical Properties]

Propenylguaethol has a vanilla-like odor and flavor.
[Definition]

ChEBI: 2-Ethoxy-5-(1-propenyl)phenol is an aromatic ether.
[Preparation]

By alkaline hydrolysis of 1-ethoxy-2-methoxy-4-propenyl benzene in ethanol or methanol solution at 150 to 190°C under pressure; or in ethylene glycol solution at the same temperature under atmospheric pressure; by saponification and contemporary transposition of the double bond starting from 1-ethoxy-2-methoxy-4-allyl benzene.
[Aroma threshold values]

Detection: 400 ppb. Aroma characteristics at 1.0%: vanilla, sweet, spicy, slightly phenolic with a heliotropine- like creaminess.
[Taste threshold values]

Taste characteristics at 25 ppm: vanilla, spicy, sweet nutty, anisic with a biting creaminess.
[Synthesis Reference(s)]

Synthetic Communications, 21, p. 379, 1991 DOI: 10.1080/00397919108016759
[Biochem/physiol Actions]

Taste at 25 ppm
Spectrum DetailBack Directory
[Spectrum Detail]

PROPENYL GUAETHOL(94-86-0)1HNMR
PROPENYL GUAETHOL(94-86-0)IR
PROPENYL GUAETHOL(94-86-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

94-86-0(sigmaaldrich)
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