1-(3-Methoxyphenyl)acetone

HCID 76410

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3027-13-2
표준 SMILES: COc1cccc(CC(C)=O)c1
InChIKey: RMMRRRLPDBJBQL-UHFFFAOYSA-N
분자식: C10H12O2
평균 분자량: 164.2 g/mol
단동위원소 질량: 164.08372962

이름 및 식별자

우선 이름: 1-(3-Methoxyphenyl)acetone
IUPAC: 1-(3-methoxyphenyl)propan-2-one
영어명: 3-Methoxyphenylacetone
분자식: C10H12O2
분자량: 164.2

이름 및 동의어

3027-13-21-(3-Methoxyphenyl)acetoneEINECS 221-191-9DTXSID00184359RefChem:423962DTXCID60106850221-191-93-Methoxyphenylacetone1-(3-methoxyphenyl)propan-2-one2-Propanone, 1-(3-methoxyphenyl)-3-Methoxyphenyl acetoneMFCD00008771

이름 더 보기

1-methoxy-1-phenyl-2-propanonemeta-anisyl methyl ketone3-Methoxyphenylacetone-97%3-methoxyphenylpropan-2-oneMethyl(3-methoxybenzyl) ketone

1-(3-METHOXYPHENYL)-2-PROPANONEm-Methoxyphenyl acetone1-(3-methoxy-phenyl)-propan-2-onem-methoxyphenylacetone(3-methoxyphenyl)acetone3-Methoxybenzyl methyl ketone3-Methoxyphenylacetone, 97%SCHEMBL269177

데이터베이스 식별자

CAS: 3027-13-2
PubChem CID: 76410
DTXSID: DTXSID00184359
EC Number: 221-191-9
Nikkaji: J205.333K

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 258 °C · 258 °C
끓는 점: 258 · 258-260 °C (lit.)
밀도: 1.911 g/mL · 1.911 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5252(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 디메틸설폭사이드와 혼합 가능.
물리적 상태: 기름
색상: 옅은 노랑
BRN: 2044357 · 2044357
InChI: InChI=1S/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3
InChIKey: RMMRRRLPDBJBQL-UHFFFAOYSA-N
SMILES: C(C1=CC=CC(OC)=C1)C(=O)C
LogP: 1.35 · 1.350 (est)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3-Methoxyphenylacetone is a substituted phenylacetone used in the preparation of optically active cyanohydrins. 3-Methoxyphenylacetone is also used in the preparation of CNS active compounds.