디메톡시벤젠

1,3-Dimethoxybenzene

HCID 9025CAS 151-10-0
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

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 · 2건

1.053-1.057

1.0521 @25 °C

물리화학적 성질

녹는점
-52 °C · -52°C
끓는 점
85 · 85-87 °C7 mm Hg(lit.)
밀도
1.055 g/mL · 1.055 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.524(lit.)
FEMA
2385 · 2385 | M-DIMETHOXYBENZENE
인화점
190 °F · 190 °F

화학적 성질

m-Dimethoxybenzene has a very powerful sweet-earthy, intensely, nut-like aroma.

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 4건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 · 1건

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 · 2건

Not Classified

Flammable liquids - Category 4

안전 및 보호

Protective Action Criteria (PAC) · 3건

3.0 [mg/m3]

32 [mg/m3]

190 [mg/m3]

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
CZ6474000
ridadr
NA 1993 / PGIII
독성
mouse,LD50,intraperitoneal,900mg/kg (900mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIABEHAVIORAL: TREMOR,Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 185, 1957.
HS 번호
29093090

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as a flavoring agent; [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 InformationBenzene, 1,3-dimethoxy-: ACTIVE
응용 분야 · 4건

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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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