파라-아니스알데히드디메틸아세탈

p-(Dimethoxymethyl)anisole

HCID 75140CAS 2186-92-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(OC)OC)cc1
InChIKey: NNHYAHOTXLASEA-UHFFFAOYSA-N
분자식: C10H14O3
평균 분자량: 182.22 g/mol
단동위원소 질량: 182.09429431

이름 및 식별자

우선 이름: p-(Dimethoxymethyl)anisole
IUPAC: 1-(dimethoxymethyl)-4-methoxybenzene
현지명: 파라-아니스알데히드디메틸아세탈
영어명: P-ANISALDEHYDE DIMETHYL ACETAL
분자식: C10H14O3
분자량: 182.22

이름 및 동의어

2186-92-71-(Dimethoxymethyl)-4-methoxybenzeneAnisaldehyde dimethyl acetal4-Methoxybenzaldehyde dimethyl acetalp-(Dimethoxymethyl)anisoleBenzene, 1-(dimethoxymethyl)-4-methoxy-p-anisaldehyde dimethylacetalAnisicaldehyde dimethylacetalXTE77A5ET4p-methoxybenzaldehyde dimethyl acetalDTXSID30622394-Methoxybenzaldehyddimethylacetal

이름 더 보기

1-(다이메톡시메틸)-4-메톡시벤젠파라-아니스알데히드디메틸아세탈1-(다이메톡시메틸)-4-메톡시벤젠(1-(DIMETHOXYMETHYL)-4-METHOXYBENZENE)아니스알데하이드 다이메틸 아세탈-4-methoxybenzeneANISIC ALDEHYDE DMA1-(Dimethoxymethyl)Nintedanib Impurity 33α,α,4-TrimethoxytolueneAnisaldehyddimethylacetal4-(Dimethoxymethyl)anisoleAnisicaldehydedimethylacetal

dimethoxy(4-methoxyphenyl)methane4-ANISALDEHYDDIMETHYLACETALEINECS 218-577-44-ANISALDEHYDE DIMETHYL ACETALANISIC ALDEHYDE DIMETHYL ACETALP-ANISALDEHYDE, DIMETHYL ACETAL(P-METHOXYPHENYL)DIMETHOXYMETHANEEC 218-577-4

데이터베이스 식별자

CAS: 2186-92-7
PubChem CID: 75140
DTXSID: DTXSID3062239
UNII: XTE77A5ET4
EC Number: 218-577-4
Nikkaji: J183.678A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 126

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Benzene, 1-_(dimethoxymethyl)_-_4-_methoxy-) -> IFRA transparency List

물리화학적 성질

끓는 점: 85 · 85-87 °C0.1 mm Hg(lit.)
밀도: 1.07 g/mL · 1.07 g/mL at 20 °C(lit.)
증기압: 2.407 · 2.407-48Pa at 25-61.2℃
굴절률: 20 · n20/D 1.505
인화점: 97 °C · 97°C
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 용해성
물리적 상태: 액체
색상: 무색투명~연황색
냄새: 100 %에서 · 100.00%에서. 마일드 플로럴 호손 재스민 라일락 엘더플라워
냄새 유형: 꽃향기
수용성: 알코올 및 다양한 유기용매와 섞일 수 있습니다. 물과 약간 섞임.
BRN: 2048930 · 2048930
InChI: 1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
InChIKey: NNHYAHOTXLASEA-UHFFFAOYSA-N
SMILES: COC(OC)c1ccc(OC)cc1
LogP: 2 at · 2 at 25℃
EPA: p-(Dimethoxymethyl)anisole (2186-92-7)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.1% (105 of 107) of all reports.

Not Classified

Aggregated GHS information provided per 107 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, 1-(dimethoxymethyl)-4-methoxy-

Status: Active Update: 24-02-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1858

Benzene, 1-(dimethoxymethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29110000
safety_code: 24/25
F 고인화성물질: 10
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing InformationBenzene, 1-(dimethoxymethyl)-4-methoxy-: ACTIVE

응용 분야 · 1건

용도4-Methoxybenzaldehyde dimethyl acetal is used as a precursor to 1-methoxy-1-(4-methoxyphenyl)hept-2-yne, 2,5-dioxopyrrolidin-1-yl-3-((4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamido)propanoate and 1-(p-anisyl)-2-(2-methoxyethyl)-3-phenylindene. Further, it acts as a protecting group reagent for diols, especially in carbohydrates. It is also used as a flavor essence in sunflower, cyclamen and in jasmine. In addition to this, it is involved in allylation reactions with allyltrimethylsilane catalyzed by Iron(III) chloride.