2,6-Dimethoxyphenol
기본 정보
- CAS
91-10-1- 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 pyrogallatePyrogallol dimethylether1,3-Di-o-methylpyrogallolFEMA 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
- 형식 전하
- 0
- 복잡도
- 104
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Aromatic Compounds
FragrancesFragrance Ingredient (2,6-Dimethoxyphenol) -> IFRA transparency List
LogP
1.15
1.15
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
17.2 mg/mL at 13 °C
slightly soluble in water; soluble in oils
moderately soluble (in ethanol)
Boiling Point
260.00 to 261.00 °C. @ 760.00 mm Hg
261-262 °C
Melting Point55 - 56 °C
Physical Description
Light brown solidified mass or fragments; [Aldrich MSDS]
Solid
White or colourless crystals, woody medicinal rather dry odour
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: Phenol, 2,6-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2,6-dimethoxyphenol (EC: 202-041-1)
Phenol, 2,6-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
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
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
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
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
관련 반응
43건
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