5,5-디메틸-1,3-사이클로헥사디온
Dimedone
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
126-81-8- 표준 SMILES
CC1(C)CC(=O)CC(=O)C1- InChIKey
BADXJIPKFRBFOT-UHFFFAOYSA-N- 분자식
- C8H12O2
- 평균 분자량
- 140.18 g/mol
- 단동위원소 질량
- 140.08372962
개요
RN given refers to parent cpd; structure
이름 및 식별자
- 우선 이름
- Dimedone
- IUPAC
- 5,5-dimethylcyclohexane-1,3-dione
- 현지명
- 5,5-디메틸-1,3-사이클로헥사디온
- 영어명
- Dimedone
- 분자식
- C8H12O2
- 분자량
- 140.18
이름 및 동의어
Dimedone126-81-85,5-DIMETHYL-1,3-CYCLOHEXANEDIONECyclomethoneMethoneDimedonMedon1,3-Cyclohexanedione, 5,5-dimethyl-Methon1,1-Dimethyl-3,5-diketocyclohexane1,1-Dimethyl-3,5-cyclohexanedioneLU 274
이름 더 보기
5,5-다이메틸-1,3-사이클로헥산디온5,5-디메틸-1,3-사이클로헥사디온5,5-디메틸-1,3-시클로헥산디온5,5-DIMETHYL-CYCLOHEXANE-1,3-DIONE5,5-Dimethyl-1,3-cyclohexadionelu274
B2B5DSX2FCNSC-14984DTXSID8021987RefChem:134141DTXCID101987204-804-45,5-Dimethylcyclohexane-1,3-dione5,5-Dimethyldihydroresorcinol
데이터베이스 식별자
- CAS
126-81-8- PubChem CID
- 31358
- DTXSID
DTXSID8021987- UNII
- B2B5DSX2FC
- EC Number
- 204-804-4
- Nikkaji
- J2.014A
물성
구조 계산 물성보충 중
- XLogP
- 0.8
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 162
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesCrystal structure
Vapor Pressure0.06 [mmHg]
Physical DescriptionSolid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 146 · 146-148 °C (lit.)
- 끓는 점
- 216.69 °C · 216.69°C (rough estimate)
- 밀도
- 1.0373 · 1.0373 (rough estimate)
- 굴절률
- 1.4787 · 1.4787 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 4.01 g/L · 4.01g/L
- 산도 계수 (pKa)
- 4.8 · 4.8(at 25℃)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- 수용성
- 0.416 g/100mL · 0.416g/100mL(25℃)
- Merck
- 14 · 14,3242
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 70% (7 of 10) of all reports.
Warning
H315 (30%): 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 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3-Cyclohexanedione, 5,5-dimethyl-
REACH registered substance: 5,5-dimethylcyclohexane-1,3-dione (EC: 204-804-4)
1,3-Cyclohexanedione, 5,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See o-Methylcyclohexanone.
Hazard Classes and CategoriesSkin Irrit. 2 (30%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GV0345000
- HS 번호
- 29142900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
화학 및 산업
용도 및 제조
UsesUsed to identify aldehydes; [Merck Index]
General Manufacturing Information1,3-Cyclohexanedione, 5,5-dimethyl-: ACTIVE
응용 분야
용도Reagent used in synthesis of fused 3-methylfuransDimedone is used in organic chemistry to identify the presence of aldehyde group. It is also used as a catalyst in the formation of transition-metal complexes. Further, it is also employed in colorimetry, crystallography, luminescence and spectrophotometric analysis. In addition to this, it is used in the synthesis of naturally occurring fused 3-methylfurans.
일반 설명5,5-dimethyl-1,3-cyclohexanedione (Dimedone) is basically a highly sensitive and very specific reagent used for the determination of aldehydes. It is highly advantageous as it is environment friendly, give high yields and is a simple workup procedure.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
187건
화합물 노트
불러오는 중…