ChemicalBook--->CAS DataBase List--->498-00-0

498-00-0

498-00-0 Structure

498-00-0 Structure
IdentificationMore
[Name]

4-Hydroxy-3-methoxybenzyl alcohol
[CAS]

498-00-0
[Synonyms]

4-HYDROXY-3-METHOXYBENZYL ALCOHOL
4-HYDROXYMETHYL-2-METHOXY-PHENOL
A 4-DIHYDROXY-3-METHOXYTOLUENE
FEMA 3737
RARECHEM AL BD 0101
VANILLYL ALCOHOL
4-hydroxy-3-methoxy-benzenemethano
4-hydroxy-3-methoxybenzyl
4-hydroxy-3-methoxybenzylalcohol(vanillicalcohol)
Benzenemethanol, 4-hydroxy-3-methoxy-
vanillol
VANILLYL ALCOHOL MI
VANILLYL ALCOHOL 98+%
Vanillyl alcohol (4-Hydroxy-3-methoxybenzyl alcohol)
Vanillyl
CITRONELLOL, D-(SG)
HOMOVANILLICALCOHOL
4-HYDROXY-3-METHOXYBENZENEMETHANOL
4-HYDROXY-3-METHOXYBENZYL ALCOHOL, 98+%
4-HYDROXY-3-METHOXYBENZYL ALCOHOL (VANILLYL ALCOHOL)
[EINECS(EC#)]

207-852-4
[Molecular Formula]

C8H10O3
[MDL Number]

MFCD00004659
[Molecular Weight]

154.16
[MOL File]

498-00-0.mol
Chemical PropertiesBack Directory
[Appearance]

crystalline white to off-white powder
[Melting point ]

110-117 °C (lit.)
[Boiling point ]

237.52°C (rough estimate)
[density ]

1.1690 (rough estimate)
[FEMA ]

3737
[refractive index ]

1.4620 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Fine Crystalline Powder
[pka]

9.75±0.18(Predicted)
[color ]

Off-white to beige
[Odor]

at 100.00 %. sweet creamy vanilla caramellic coconut graham cracker tonka milky powdery
[Stability:]

Stable. Incompatible with strong oxidizing agents, strong acids.
[biological source]

synthetic
[Odor Type]

creamy
[Water Solubility ]

Soluble in 95% ethanol (5 %), water, and oils.
[JECFA Number]

886
[BRN ]

1910044
[Henry's Law Constant]

9.6×104 mol/(m3Pa) at 25℃, McFall et al. (2020)
[InChI]

1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
[InChIKey]

ZENOXNGFMSCLLL-UHFFFAOYSA-N
[SMILES]

COc1cc(CO)ccc1O
[LogP]

0.42
[CAS DataBase Reference]

498-00-0(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Hydroxy-3-methoxybenzyl alcohol(498-00-0)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HS Code ]

29095090
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Vanillyl alcohol(498-00-0).msds
Questions and Answers (Q&A)Back Directory
[Description]

4-hydroxy-3-methoxybenzyl alcohol (also known as vanillyl alcohol) is often used as a deodorant component that is active in preventing the formation of body odor. It can also be used as a flavoring agent. Recent studies have also demonstrated that it has certain pharmacological effects. For example, it has been confirmed that it has certain neuro-protective effects through suppressing the oxidative stress and anti-apoptotic activity in toxin-induced dopaminergic MN9D cells, making it a potential candidate for the treatment of neurodegenerative diseases such as Parkinson’s disease.
[References]

Brune, I, et al. "Under the influence of the active deodorant ingredient 4-hydroxy-3-methoxybenzyl alcohol, the skin bacterium Corynebacterium jeikeium moderately responds with differential gene expression." Journal of Biotechnology 127.1(2006):21-33.
Hsu, Lun Chung, Z. H. Wen, and K. Y. Lee. "Use of vanillyl alcohol for the treatment of Parkinson's disease." (2009).
Kim, I. S., D. K. Choi, and H. J. Jung. "Neuroprotective effects of vanillyl alcohol in Gastrodia elata Blume through suppression of oxidative stress and anti-apoptotic activity in toxin-induced dopaminergic MN9D cells." Molecules 16.7(2011):5349.
Hazard InformationBack Directory
[Chemical Properties]

crystalline white to off-white powder
[Chemical Properties]

Vanillyl alcohol has a mild, sweet, balsamic, vanilla-like odor.
[Uses]

Used as a flavoring agent. Other possible uses, vanilla, coconut, cream and other dairy nuances, coumarin.
[Definition]

ChEBI: Vanillyl alcohol is a monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. It has a role as a plant metabolite. It is a member of guaiacols and a member of benzyl alcohols.
[Taste threshold values]

Sweet, creamy and milky with a slightly powdery mouthfeel.
[General Description]

Vanillyl alcohol belongs to the phenolic group of compounds which are widely used as oxidants in food products.
[reaction suitability]

reagent type: cross-linking reagent
[Biochem/physiol Actions]

Odor at 1.0%: sweet creamy, phenolic, vanilla and coconut-like with slight brown and coumarinic nuances.
[Synthesis]

Vanillyl alcohol is prepared from Vanillin by hydrogenation in presence of Platinum black.
Spectrum DetailBack Directory
[Spectrum Detail]

Vanillyl alcohol(498-00-0)MS
Vanillyl alcohol(498-00-0)1HNMR
Vanillyl alcohol(498-00-0)13CNMR
Vanillyl alcohol(498-00-0)IR1
Vanillyl alcohol(498-00-0)IR2
Vanillyl alcohol(498-00-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Hydroxy-3-methoxybenzyl alcohol, 99%(498-00-0)
[Alfa Aesar]

4-Hydroxy-3-methoxybenzyl alcohol, 98+%(498-00-0)
[Sigma Aldrich]

498-00-0(sigmaaldrich)
[TCI AMERICA]

Vanillyl Alcohol,>98.0%(GC)(498-00-0)
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