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기본 정보
- CAS
24623-20-9- 표준 SMILES
Cc1ccc2c(c1)C(=O)CC2- InChIKey
DBOXRDYLMJMQBB-UHFFFAOYSA-N- 분자식
- C10H10O
- 평균 분자량
- 146.19 g/mol
- 단동위원소 질량
- 146.07316494
이름 및 식별자
- 우선 이름
- 6-Methyl-1-indanone
- IUPAC
- 6-methyl-2,3-dihydroinden-1-one
- 영어명
- 6-Methyl-1-indanone
- 분자식
- C10H10O
- 분자량
- 146.19
이름 및 동의어
6-Methyl-1-indanone24623-20-91H-Inden-1-one, 2,3-dihydro-6-methyl-1-Indanone, 6-methyl-P9NAN3OV6ADTXSID00383542RefChem:543786DTXCID70334566805-083-46-methylindan-1-one6-methyl-2,3-dihydro-1H-inden-1-one6-methyl-2,3-dihydroinden-1-one
이름 더 보기
6-Methxy-1- indanone6-Methyl-1-indanone>6-METHYL-1-INDANONE,98.0+%(GC)2,3-dihydro-6-methyl-1H-inden-1-one
6-Methyl-indan-1-oneMFCD002757292,3-Dihydro-6-methylinden-1-one6-methyl-indane-1-oneUNII-P9NAN3OV6ASCHEMBL3549886-Methyl-1-indanone, 99%SCHEMBL30465799
데이터베이스 식별자
- CAS
24623-20-9- PubChem CID
- 2795093
- DTXSID
DTXSID00383542- UNII
- P9NAN3OV6A
- EC Number
- 805-083-4
- Nikkaji
- J558.515E
물성
구조 계산 물성보충 중
- XLogP
- 2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 174
물리화학적 성질
- 녹는점
- 60 · 60-62 °C (lit.)
- 끓는 점
- 70 °C/0.4 · 70 °C/0.4 mmHg (lit.)
- 밀도
- 0.9071 · 0.9071 (rough estimate)
- 굴절률
- 1.558 · 1.5580 (estimate)
- 인화점
- 124 · 124-126°C/11mm
- 저장 조건
- Store at room temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 노란색, 주황색으로
- BRN
- 1448005 · 1448005
- InChI
- InChI=1S/C10H10O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6H,4-5H2,1H3
- InChIKey
- DBOXRDYLMJMQBB-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC(C)=C2)CC1
화학적 성질
white to light yellow crystal powder
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 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
안전 데이터
- wgk
- 3
- HS 번호
- 29143990
- hazard_code
- Xi
- safety_code
- 22-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도6-Methyl-1-indanone was used as a starting material for the synthesis of branched alkyl indanes (BINs).
일반 설명6-Methyl-1-indanone is a substituted indanone. It has been synthesized in high quantum yields by the photolysis of α-chloro-2′,5′-dimethylacetophenone. It is formed as one of the photoproduct during the irradiation of 2,5-dimethylphenacyl (DMP) esters. It is reported to be one of the semivolatile component of lamina cigarette smoke.
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