2,6-Dimethoxyphenol

HCID 7041CAS 91-10-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cccc(OC)c1O
InChIKey
KLIDCXVFHGNTTM-UHFFFAOYSA-N
분자식
C8H10O3
평균 분자량
154.16 g/mol
단동위원소 질량
154.06299418

개요

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.

이름 및 식별자

우선 이름
2,6-Dimethoxyphenol
IUPAC
2,6-dimethoxyphenol
영어명
2,6-Dimethoxyphenol
분자식
C8H10O3
분자량
154.16

이름 및 동의어

2,6-DIMETHOXYPHENOL91-10-1SyringolPyrogallol 1,3-dimethyl etherPhenol, 2,6-dimethoxy-1,3-Dimethoxy-2-hydroxybenzene2-Hydroxy-1,3-dimethoxybenzene1,3-Dimethyl pyrogallate1,3-Di-o-methylpyrogallolPyrogallol dimethyletherFEMA No. 3137DTXSID2052607
이름 더 보기
MCPDimethoxyphenol2,6-Dimethoxyphenol (syringol)2,6-DimethoxyphenylNatural 2,6-DimethoxyphenolAHUS2MIC10
4UQT464H8KCHEBI:955DTXCID0031180RefChem:83270202-041-1Aldrich2,6-Dwumetoksyfenol2,6-dimethoxy phenol

데이터베이스 식별자

CAS
91-10-1
PubChem CID
7041
DTXSID
DTXSID2052607
ChEMBL
CHEMBL109652
ChEBI
CHEBI:955
UNII
4UQT464H8K
EC Number
202-041-1
Nikkaji
J27.321J

물성

구조 계산 물성

XLogP
1.1
극성 표면적
38.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds
FragrancesFragrance Ingredient (2,6-Dimethoxyphenol) -> IFRA transparency List
LogP · 2건

1.15

1.15

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 3건

17.2 mg/mL at 13 °C

slightly soluble in water; soluble in oils

moderately soluble (in ethanol)

물리화학적 성질

녹는점
50 · 50-57 °C(lit.)
끓는 점
261 °C · 261 °C(lit.)
밀도
1.169 · 1.1690 (rough estimate)
굴절률
1.4745 · 1.4745 (estimate)
FEMA
3137 · 3137 | 2,6-DIMETHOXYPHENOL
인화점
230 °F · >230 °F

화학적 성질

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

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1711) of reports.

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1711 reports by companies from 12 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Phenol, 2,6-dimethoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Status: Active Update: 27-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24958

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

Hazards Summary · 1건

Causes somnolence and dyspnea in intravenous lethal-dose study of cats; Causes general anesthesia in oral lethal-dose study of rats; Causes weight loss in 36-day oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion and skin absorption; [Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (> 99.9%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SL0900000
ridadr
UN 2811 6.1/PG 1
HS 번호
29095090
risk_code
22-36/37/38

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 6건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPhenol, 2,6-dimethoxy-: ACTIVE
응용 분야 · 3건

출처Reported found in beechwood tar creosote, onion, garlic, leek, chive, nira (Allium tuberosum Rotti), nobira (Allium grayi Regal) and caucus (Allium victoralis L.)

용도2,6-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.

일반 설명2,6-Dimethoxyphenol has been identified as one of the volatile flavor constituents in shoyu (soy sauce), wine and wood smoke.

제조 방법

2,6-Dimethoxyphenol is prepared by reacting pyrogallol with methyl iodide in alkaline aqueous medium; by demethylation of pyrogallol trimethyl ether in aqueous alkali or in alcohol.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]

추가 설명

정의ChEBI: 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.

관련 반응

43건
반응 기록 만들기

연결된 노트

불러오는 중…