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2,6-Dimethoxyphenol

2,6-Dimethoxyphenol structure

CAS No:
91-10-1
Formula:
C8H10O3
Chemical Name:
2,6-Dimethoxyphenol
Synonyms:
1,3-Dimethoxy-2-hydroxybenzene;1,3-Dimethyl pyrogallate;1,3-dimethylpyrogallate;2,6-dimethoxy-pheno;2,6-Dimethoxyphenol (syringol);2,6-Dimethoxyphenyl;2,6-Dwumetoksyfenol;2-Hydroxy-1,3-dimethoxybenzene
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

off-white or grey to brown crystalline powder, 2,6-Dimethoxyphenol has a woody, medicinal, rather dry odor.

Solid|White or colourless crystals, woody medicinal rather dry odour

2,6-dimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. It has a role as a plant metabolite. It is a member of phenols and a dimethoxybenzene.

2,6-Dimethoxyphenol has been identified as one of the volatile flavor constituents in shoyu (soy sauce), wine and wood smoke.

Purify the phenol by zone melting or sublimation in a vacuum. [Beilstein 6 IV 7329.]

2,6-Dimethoxyphenol Basic Attributes

Molecular Weight：

154.16

Exact Mass：

154.16

BRN：

1526871

EC Number：

202-041-1

UNII：

4UQT464H8K

TSCA：

TSCA listed

DSSTox ID：

DTXSID2052607

Color/Form：

Off-white or gray to brown

HScode：

29095090

Characteristics

PSA：

38.7

XLogP3：

1.1

Appearance：

Off-white or gray to brown Crystalline Powder, Crystals, or Crystalline Solid

Density：

1.1690 (rough estimate)

Melting Point：

50-57 °C(lit.)

Boiling Point：

261 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

1.4745 (estimate)

Water Solubility：

2 g/100 mL (13 ºC)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Odor：

at 1.00 % in dipropylene glycol. smoky phenolic balsamic bacon powdery woody

PKA：

9.97±0.10(Predicted)

Henrys Law Constant：

3.7×101mol/(m3Pa) at 25℃, Sagebiel et al. (1992)

Critical Temperature & Pressure：

Keep in dark place,Inert atmosphere,Room temperature

Safety Information

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

Xn,Xi

safety instructions：

26-36-37/39

RTECS Number：

SL0900000

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

22-36/37/38

RIDADR：

UN 2811 6.1/PG 1

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1703 companies from 11 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2,6-dimethoxyphenol

2,6-Dimethoxyphenol Use and Manufacturing

Uses

2,6-Dimethoxyphenol has been used as a metabolite of lignin depolymerisation.It is also used as flavoring agent or adjuvant.It is reported to be the single most important flavor chemical in smoke flavors. It is used in smoke flavors, whisky, rum, tea, spice, savory, seafood, meat, liquorices, coffee, and nut flavors.

Manufacturing Info：

Phenol, 2,6-dimethoxy-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:154.16
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.062994177
Monoisotopic Mass:154.062994177
Topological Polar Surface Area:38.7
Heavy Atom Count:11
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-Dimethoxyphenol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,6-Dimethoxyphenol

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