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458-35-5

458-35-5 Structure

458-35-5 Structure
IdentificationMore
[Name]

CONIFERYL ALCOHOL
[CAS]

458-35-5
[Synonyms]

2-METHOXY-4-(G-HYDROXY)-PROPENYL PHENOL
3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPEN-1-OL
4-(3-HYDROXYPROP-1-ENYL)-2-METHOXYPHENOL
4-HYDROXY-3-METHOXYCINNAMIC ALCOHOL
4-HYDROXY-3-METHOXYCINNAMYL ALCOHOL
CONIFERYL ALCOHOL
G-HYDROXY ISOEUGENOL
2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl)-
3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol
4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol
Coniferol
Coniferylic alcohol
gamma-Hydroxyisoeugenol
p-Hydroxy-m-methoxycinnamyl alcohol
4-hydroxy-3-methoxycianamylic alcohol
Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-
CONIFERYL ALCOHOL(RG)
γ-hydroxyisoeugenol
3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, 4-Hydroxy-3-methoxycinnamyl alcohol
1-(3-Methoxy-4-hydroxyphenyl)propene-3-ol
[EINECS(EC#)]

207-277-9
[Molecular Formula]

C10H12O3
[MDL Number]

MFCD00002922
[Molecular Weight]

180.2
[MOL File]

458-35-5.mol
Chemical PropertiesBack Directory
[Appearance]

beige crystalline powder
[Melting point ]

75-80 °C(lit.)
[Boiling point ]

163-165 °C3 mm Hg(lit.)
[density ]

1.1272 (rough estimate)
[refractive index ]

1.5080 (estimate)
[RTECS ]

SL5367000
[Fp ]

163-165°C/3mm
[storage temp. ]

−20°C
[solubility ]

alcohol: moderately soluble(lit.)
[form ]

Solid
[pka]

9.99±0.35(Predicted)
[color ]

Pale Yellow to Light Yellow
[Sensitive ]

Light Sensitive
[Merck ]

14,2504
[BRN ]

2048961
[Stability:]

Light Sensitive
[InChI]

1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
[InChIKey]

JMFRWRFFLBVWSI-UHFFFAOYSA-N
[SMILES]

COc1cc(\C=C\CO)ccc1O
[LogP]

0.920 (est)
[CAS DataBase Reference]

458-35-5(CAS DataBase Reference)
[EPA Substance Registry System]

Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy- (458-35-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

4.8-8-10-23
[TSCA ]

Yes
[HS Code ]

29095000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

beige crystalline powder
[Physical properties]

White (colorless) crystals. M.P. 74°C. Very slightly soluble in water, soluble in alcohol and oils.
[Uses]

Coniferyl alcohol was used as a fungal growth inhibitor.
[Application]

CONIFERYL ALCOHOL can polymerize with weak mineral acids and certain organic acids, turning into an amorphous, odorless gum. This chemical could find extensive use as a fixative and blender in various types of floral, balsamic and Oriental fragrances. However, it is not generally available in the state of chemical or olfactory purity desirable to the perfumer.
[Definition]

ChEBI: A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring.
[General Description]

Coniferyl alcohol is one of the preferred substrate of the eucalpytus globus enzyme.
[Purification Methods]

It is soluble in EtOH and insoluble in H2O. It can, however, be recrystallised from EtOH and distilled in a vacuum. It polymerises in dilute acid. The benzoyl derivative has m 95-96o (from pet ether), and the tosylate has m 66o. [Derivatives: Freudenberg & Achtzehn Chem Ber 88 10 1955, UV: Herzog & Hillmer Chem Ber 64 1288 1931, Beilstein 6 II 1093.]
Spectrum DetailBack Directory
[Spectrum Detail]

CONIFERYL ALCOHOL(458-35-5)1HNMR
CONIFERYL ALCOHOL(458-35-5)Raman
CONIFERYL ALCOHOL(458-35-5)IR
CONIFERYL ALCOHOL(458-35-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Coniferyl alcohol, 99%(458-35-5)
[Alfa Aesar]

Coniferyl alcohol, 98%(458-35-5)
[Sigma Aldrich]

458-35-5(sigmaaldrich)
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