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2785-89-9

2785-89-9 Structure

2785-89-9 Structure
IdentificationMore
[Name]

4-Ethyl-2-methoxyphenol
[CAS]

2785-89-9
[Synonyms]

1-HYDROXY-2-METHOXY-4-ETHYL BENZENE
2-METHOXY-4-ETHYLPHENOL
4-ETHYL-2-METHOXYPHENOL
4-ETHYLGUAIACOL
ETHYL GUAIACOL
FEMA 2436
HOMOVANILLIN
TIMTEC-BB SBB008068
4-ethvlguaiacol
4-ethyl guiacol
4-ethyl-2-methoxy-pheno
4-Ethyl-2-methoxyphenol (4-ethylguaiacol)
4-Ethyl-2-metoxy phenol
4-Ethylquaiacol
4-Hydroxy-3-methoxy ethylbenzene
p-Ethylguaiacol
Phenol, 2-methoxy-4-ethyl
4-ETHYLGUAIACOL 98+% FCC
4-ethylguaiacol,1-hydroxy-2-methoxy-4-ethyl-benzene,4-ethyl-2-methoxyphenol
Phenol, 4-ethyl-2-methoxy-
[EINECS(EC#)]

220-500-4
[Molecular Formula]

C9H12O2
[MDL Number]

MFCD00038714
[Molecular Weight]

152.19
[MOL File]

2785-89-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

15 °C(lit.)
[Boiling point ]

234-236 °C(lit.)
[density ]

1.063 g/mL at 25 °C(lit.)
[FEMA ]

2436
[refractive index ]

n20/D 1.528(lit.)
[Fp ]

226 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

10.31±0.18(Predicted)
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.06
[Odor]

at 10.00 % in dipropylene glycol. spicy smoky bacon phenolic clove
[biological source]

synthetic
[Odor Type]

spicy
[JECFA Number]

716
[BRN ]

2045329
[Henry's Law Constant]

5.5×100 mol/(m3Pa) at 25℃, McFall et al. (2020)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
[InChIKey]

CHWNEIVBYREQRF-UHFFFAOYSA-N
[SMILES]

CCc1ccc(O)c(OC)c1
[LogP]

2.18
[CAS DataBase Reference]

2785-89-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 4-ethyl-2-methoxy-(2785-89-9)
[EPA Substance Registry System]

2785-89-9(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,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

2
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29071990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

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

CREOSOTE-->2-Bromo-4-ethylphenol-->4-Benzyloxy-3-methoxystyrene-->4-Hydroxy-3-methoxystyrene-->ZINC
[Preparation Products]

3-(4-Hydroxyphenyl)-1-propanol-->3,4-Dimethoxyphenol-->Nonadecane-->4-Ethylresorcinol-->2,6-Dimethoxyphenol-->2-((4-Ethyl-2-methoxyphenoxy)methyl)oxirane
Hazard InformationBack Directory
[Chemical Properties]

4-Ethylguaiacol has a warm, sweet, spicy, medicinal odor.
[Chemical Properties]

clear colorless to light yellow liquid
[Occurrence]

Reported found in several distillates of plant origin; it was identified in camphor oil, and it had been reported previously in Tolu and Peru balsam as well as in various wood distillates. Also reported found in cinnamon, coffee, grape, brandy, malt, rum, soy sauce, whiskey, grapefruit juice, smoked fish, lean fish, beer, cognac, cider, grape wines and apple brandy.
[Uses]

4-Ethyl-2-methoxyphenol is used as smoke flavoring in the food industry and displays antioxidant activity due to its phenolic composition. It is also present in red grapes and in red wines.
[Uses]

4-Ethylguaiacol is used as smoke flavoring in the food industry and displays antioxidant activity due to its phenolic composition. It is also present in red grapes and in red wines.
[Definition]

ChEBI: 4-Ethyl-2-methoxyphenol is a member of methoxybenzenes and a member of phenols.
[Aroma threshold values]

Detection: 25 ppb. Aroma characteristics at 1.0%: slightly sweet, spicy, clove, smoky and phenolic with charred whiskey barrel notes and a slight vanilla-like creaminess.
[Taste threshold values]

Taste characteristics at 5 to 10 ppm: dry, smoky, clove, phenolic and vanilla-like with tobacco and woody notes, and a burnt bacon oily aftertaste. Taste characteristics at 30 ppm: woody, smoky and spicy with sweet vanilla background.
[General Description]

4-Ethylguaiacol is a volatile compound, belonging to the class of phenols. It is identified as one of the key aroma components in commercial soy sauce, red wine, and apple cider. The unpleasant smoky, spicy, and clove-like aroma in wine is due to the presence of high concentrations of 4-Ethylguaiacol.
[Synthesis]

4-Ethyl-2-methoxyphenol is produced from ortho-Dichloro ethylphenol by heating with Ethyl benzyl disulfonic acid and aqueous alkali at 180-200℃, followed by single Methylation.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Ethyl-2-methoxyphenol(2785-89-9)1HNMR
4-Ethyl-2-methoxyphenol(2785-89-9)IR
4-Ethyl-2-methoxyphenol(2785-89-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Ethyl-2-methoxyphenol, 98%(2785-89-9)
[Alfa Aesar]

4-Ethyl-2-methoxyphenol, 98%(2785-89-9)
[Sigma Aldrich]

2785-89-9(sigmaaldrich)
[TCI AMERICA]

2-Methoxy-4-ethylphenol,>97.0%(GC)(2785-89-9)
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