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기본 정보
- CAS
80866-93-9- 표준 SMILES
CC1(C)CC(=O)C=C(C(=O)O)O1- InChIKey
ANKQOBXQEHGUJT-UHFFFAOYSA-N- 분자식
- C8H10O4
- 평균 분자량
- 170.164 g/mol
- 단동위원소 질량
- 170.0579088
이름 및 식별자
- 우선 이름
- 4H-Pyran-2-carboxylic acid, 5,6-dihydro-6,6-dimethyl-4-oxo-
- IUPAC
- 2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
- 영어명
- 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
- 분자식
- C8H10O4
- 분자량
- 170.16
이름 및 동의어
2,2-dimethyl-4-oxo-3H-pyran-6-carboxylicaciacidedimethyl-6,6dihydro-5,6pyrone-4carboxylique-23,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC5,6-dihydro-6,6-dimethyl-4-oxo-4h-pyran-2-carboxylicaci3,4-dihydro-2,2-dimethyl-4-oxo-2h-pyran-6-carboxylicaci5,6-dihydro-6,6-dimethyl-4-oxo-4h-pyran-2-carboxylicacid4-Oxo-6,6-dimethyl-5,6-dihydro-4H-pyran-2-carboxylic acid3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid,98%
데이터베이스 식별자
- CAS
80866-93-9- PubChem CID
- 198592
- DTXSID
DTXSID20230761- EC Number
- 279-596-1
- Nikkaji
- J236.501D
물성
물리화학적 성질
- 녹는점
- 170 °C · 170 °C (dec.) (lit.)
- 끓는 점
- 219.79 °C · 219.79°C (rough estimate)
- 밀도
- 1.1456 · 1.1456 (rough estimate)
- 굴절률
- 1.4425 · 1.4425 (estimate)
- InChI
- InChI=1S/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11)
- InChIKey
- ANKQOBXQEHGUJT-UHFFFAOYSA-N
- SMILES
- C1(C)(C)OC(C(O)=O)=CC(=O)C1
화학적 성질
white to beige fine crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- rtecs
- UP6990000
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid was used as photoprotective reagent during photolysis of the Salmonella sialidase.
일반 설명Butyl ester of 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid is commonly used as mosquito repellent.
공급사19 곳
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