4-Methyl-2,6-dimethoxyphenol (HCID 240925)

名称と識別子

優先名称: 4-Methyl-2,6-dimethoxyphenol
IUPAC: 2,6-dimethoxy-4-methylphenol
現地名: 2,6-ジメトキシ-4-メチルフェノール
英語名: 2,6-DIMETHOXY-4-METHYLPHENOL
分子式: C9H12O3
分子量: 168.19

名称と別名

2,6-Dimethoxy-4-methylphenol6638-05-74-Methyl-2,6-dimethoxyphenol4-MethylsyringolPhenol, 2,6-dimethoxy-4-methyl-2,6-Dimethoxy-p-cresol3,5-Dimethoxy-4-hydroxytoluenep-Cresol, 2,6-dimethoxy-4-Hydroxy-3,5-dimethoxytolueneFJJ5MYE75WFEMA No. 37042,6-DIMETHOXY-4-CRESOL

名称をさらに表示

2,6-ジメトキシ-4-メチルフェノール4-メチル-2,6-ジメトキシフェノール4-メチルシリンゴール2,6-ジメトキシ-p-クレゾール4-ヒドロキシ-3,5-ジメトキシトルエンFEMA 3704Syringol, 4-methyl2,6-dimethoxy-4-methyl-phenoMethylsyringol, 10 mM in DMSO

DTXSID10216599EINECS 229-641-6UNII-FJJ5MYE75WNSC-479011-Methyl-3,5-dimethoxy-4-hydroxybenzeneNSC 479014-METHYL-2,6-DIMETHOXYPHENOL [FHFI]RefChem:99717

データベース識別子

CAS: 6638-05-7
PubChem CID: 240925
DTXSID: DTXSID10216599
ChEMBL: CHEMBL205268
ChEBI: CHEBI:172423
UNII: FJJ5MYE75W
EC Number: 229-641-6
Nikkaji: J27.322H

物性

構造計算による物性

XLogP: 1.9
極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 124

実験および物理化学的性質

Solubility · 2 件

insoluble in water; soluble in fat

moderately soluble (in ethanol)

Boiling Point · 2 件

145.00 to 146.00 °C. @ 14.00 mm Hg

145-146 °C (12 mm Hg)

Melting Point36 °C

Physical Description · 2 件

Solid

Pale yellow semi-solid, phenolic medicinal odour

Kovats Retention Index · 3 件

1473；1403；1473；1404.4

1447.5；1447.1；1451.3；1442.9

2350；2349；2332；2316.5；2343.9；2359.2

物理化学的性質

融点: 37 · 37-42 °C(lit.)
沸点: 145 · 145-146 °C14 mm Hg(lit.)
比重(密度): 1.105 · 1.105±0.06 g/cm3(Predicted)
FEMA: 3704 · 3704 | 4-METHYL-2,6-DIMETHOXYPHENOL
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
酸解離定数(Pka): 10.29 · 10.29±0.23(Predicted)
外見: powder to lump to clear liquid
色: White or Colorless to Light orange to Yellow
臭い (Odor): 10 %。フェノールスモーク · ジプロピレングリコール中10.00%。フェノールスモーク薬用ウッディスパイスオイゲノールルートキャラメル
においのタイプ: フェノール系
由来生物: synthetic
水溶解度: 水にわずかに溶ける。
JECFA Number: 722 · 722
Henry's Law Constant: 3.8 · 3.8×101 mol/(m3Pa) at 25℃, McFall et al. (2020)
主な用途: フレーバーそして香料
InChI: 1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
InChIKey: ZFBNNSOJNZBLLS-UHFFFAOYSA-N
SMILES: COc1cc(C)cc(OC)c1O
LogP: 1.23 · 1.23
CAS データベース: 6638 · 6638-05-7(CAS DataBase Reference)

化学的性質

化学的特性brown crystalline mass

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 212 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: Phenol, 2,6-dimethoxy-4-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Phenol, 2,6-dimethoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (78.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (99.5%)

法規制情報

Regulatory Information · 3 件

Chemical: Phenol, 2,6-dimethoxy-4-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Phenol, 2,6-dimethoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
hs_code: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

Use Classification · 4 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

応用分野

天然物の起源Reported found in dried bonito, smoked pork belly, smoked sausage, natural smoke flavor, cured and uncured pork, beer, cuttlefish and smoked fish.

使用Used as a flavor and fragrance agents.

上流・下流製品情報

上流原料

4,4'-メチレンビス(2,6-ジメトキシフェノール)4-(2-hydroxyethyl)-2,6-dimethoxyphenol 3,5-ジメトキシ-4-ヒドロキシけい皮酸 4'-ヒドロキシ-3',5'-ジメトキシアセトフェノン Phenol,4-[(1E)-3-hydroxy-1-propenyl]-2,6-dimethoxy-Phenol, 2,6-dimethoxy-4-(methoxymethyl)-2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, ethyl ester, (2E)-シリンガアルデヒド 2,6-ジブロモ-p-クレゾール

下流製品

5-メチルピロガロールシリンガアルコール 2,6-ジメトキシフェノール

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

2,6-ジメトキシ-4-メチルフェノール

基本情報