디메톡시벤젠
1,3-Dimethoxybenzene
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기본 정보
- CAS
151-10-0- 표준 SMILES
COc1cccc(OC)c1- InChIKey
DPZNOMCNRMUKPS-UHFFFAOYSA-N- 분자식
- C8H10O2
- 평균 분자량
- 138.16 g/mol
- 단동위원소 질량
- 138.06807956
개요
1,3-Dimethoxybenzene is a member of methoxybenzenes.
이름 및 식별자
- 우선 이름
- 1,3-Dimethoxybenzene
- IUPAC
- 1,3-dimethoxybenzene
- 현지명
- 디메톡시벤젠
- 영어명
- 1,3-Dimethoxybenzene
- 분자식
- C8H10O2
- 분자량
- 138.16
이름 및 동의어
1,3-Dimethoxybenzene151-10-0Resorcinol dimethyl etherBenzene, 1,3-dimethoxy-M-DIMETHOXYBENZENE3-MethoxyanisoleBenzene, m-dimethoxy-Dimethyl resorcinolDimethylether resorcinoluFEMA No. 2385DTXSID20470602694Z07HQY
이름 더 보기
1,3-다이메톡시벤젠디메톡시벤젠FEMA 2385phenylene ether1,3-methoxybenzenelM-xylylene etherDimethylresorinol
meta-dimethoxybenzeneNSC-8699DTXCID0027060RefChem:72695205-783-4DimethylresorcinolMethoxyanisole, m-m-Methoxyanisole
데이터베이스 식별자
- CAS
151-10-0- PubChem CID
- 9025
- DTXSID
DTXSID2047060- ChEMBL
CHEMBL2252486- ChEBI
CHEBI:89853- UNII
- 2694Z07HQY
- EC Number
- 205-783-4
- Nikkaji
- J5.861K
물성
구조 계산 물성보충 중
- XLogP
- 2.2
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 83.3
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (m-Dimethoxybenzene) -> IFRA transparency List
LogP2.21
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.053-1.057
1.0521 @25 °C
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water
soluble (in ethanol)
Boiling Point
85.00 to 87.00 °C. @ 7.00 mm Hg
215-217.5 °C
217.5 °C @760 [mm Hg]
Melting Point-52 °C
Vapor Pressure0.52 [mmHg]
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 97.5% (268 of 275) of all reports.
Not Classified
Aggregated GHS information provided per 275 reports by companies from 4 notifications to the ECHA C&L Inventory.
Warning
H227: Combustible liquid [Warning Flammable liquids]
P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Benzene, 1,3-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 27-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19544
Benzene, 1,3-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence, tremor, and ataxia in intraperitoneal lethal-dose studies of mice (LD50 = 900 mg/kg); [RTECS] Safe when used as a flavoring agent in food; [JECFA] A mild skin and eye irritant; Harmful by skin absorption; [Alfa Aesar MSDS] See Anisole and Hydroquinone dimethyl ether.
Hazard Classes and Categories
Not Classified
Flammable liquids - Category 4
안전 및 보호
Protective Action Criteria (PAC)
3.0 [mg/m3]
32 [mg/m3]
190 [mg/m3]
안전 데이터
- wgk
- 2
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a flavoring agent; [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 InformationBenzene, 1,3-dimethoxy-: ACTIVE
응용 분야
개요1,3-Dimethoxybenzene, also known as dimethyl resorcinol or 3-methoxyanisole, belongs to the class of organic compounds known as dimethoxybenzenes. These organic aromatic compounds contain a monocyclic benzene moiety carrying two methoxy groups. 1,3-Dimethoxybenzene has been used in the synthesis of novel oxathiane spiroketal donors. It forms pi- and O-ylidic complexes with dichlorocarbene (CCl(2)).
출처Reported found in Gruyere de Comte, blue cheeses, filberts and cognac
용도1,3-Dimethoxybenzene is used for the preparation of oxathiane spiroketal donors. It is also used for the formation of pi- and O-ylidic complexes with dichlorocarbene. Further, it acts as a flavoring agent.
일반 설명1,3-Dimethoxybenzene can be used as a flavoring agent in the food industry. It is reported to be found in the volatiles of port wine and Roquefort cheese.
제조 방법
생산 방법1,3-Dimethoxybenzene can be produced 1) by Methylation of Resorcinol in weak aqueous alkali with Dimethylsulfate. 2) from Methanol and Resorcinol with Potassium hydrosuIfate or Sodium naphthalene sulfonate as dehydrating agent.
관련 반응
172건
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