3,3-디메틸-1-인다논

3,3-Dimethyl-1-indanone

HCID 304628CAS 26465-81-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CC(=O)c2ccccc21
InChIKey: QWZAOSKLFKAEOK-UHFFFAOYSA-N
분자식: C11H12O
평균 분자량: 160.21 g/mol
단동위원소 질량: 160.088815

이름 및 식별자

우선 이름: 3,3-Dimethyl-1-indanone
IUPAC: 3,3-dimethyl-2H-inden-1-one
현지명: 3,3-디메틸-1-인다논
영어명: 3,3-Dimethyl-1-indanone
분자식: C11H12O
분자량: 160.21

이름 및 동의어

26465-81-63,3-Dimethyl-1-indanone3,3-dimethyl-2,3-dihydro-1H-inden-1-oneDTXSID70307972RefChem:485456DTXCID80259099866-519-71H-Inden-1-one, 2,3-dihydro-3,3-dimethyl-3,3-dimethyl-2H-inden-1-one3,3-dimethylindan-1-oneMFCD018461693,3-Dimethyl-indan-1-one

이름 더 보기

3,3-디메틸-1-인다논AKOS BC-03963,3-Dimethyl-1-indanone>3,3-dimethyl-2H-inden-1-one1,1-Dimethyl-1H-indene-3(2H)-one1H-Inden-1-one,2,3-dihydro-3,3-di-3,3-Dimethyl-2,3-dihydro-1H-inden-1-on3,3-dimethyl-2,3-dihydro-1H-inde-1-one

3,3-Dimethyl 1-Indanone3,3-dimethyl indan-1-one1-Indanone, 3,3-dimethyl-3,3-dimethylindanone3,3-dimethyl-1-indanone, AldrichCPRNSC-200698SY0534291H-Inden-1-one,3-dihydro-3,3-dimethyl-

데이터베이스 식별자

CAS: 26465-81-6
PubChem CID: 304628
DTXSID: DTXSID70307972
UNII: AMY99K3WHC
EC Number: 866-519-7
Nikkaji: J133.522G

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 205

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 122 °C · 122 °C / 16mmHg
밀도: 1.03 · 1.03
굴절률: 1.541 · 1.5410-1.5450
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: 밝은 노란색에서 갈색까지
InChI: InChI=1S/C11H12O/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChIKey: QWZAOSKLFKAEOK-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(C)(C)C1
LogP: 3.13 · 3.130 (est)

화학적 성질

Colorless Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P273, 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

HS 번호: 2914390090
risk_code: 52

화학 및 산업

응용 분야

용도3,3-Dimethyl 1-indanone is used as a reagent to synthesize Indole (I577320) and Indoline (I627200) chromophores, compounds that have potential antioxidant properties. 3,3-Dimethyl 1-indanone is also a component of cigarette tobacco.