기본 정보
- 표준 SMILES
CCC(C(C)=O)C(=O)OC- InChIKey
YXLVLOWNJCOOAU-UHFFFAOYSA-N- 분자식
- C7H12O3
- 평균 분자량
- 144.17 g/mol
- 단동위원소 질량
- 144.07864424
이름 및 식별자
- 우선 이름
- Butanoic acid, 2-ethyl-3-oxo-, methyl ester
- IUPAC
- methyl 2-ethyl-3-oxobutanoate
- 영어명
- METHYL 2-ETHYLACETOACETATE
- 분자식
- C7H12O3
- 분자량
- 144.17
이름 및 동의어
Methyl 2-ethylacetoacetateButanoic acid, 2-ethyl-3-oxo-, methyl esterEINECS 257-381-3Methyl 2-ethyl-3-oxobutyrateDTXSID00871398RefChem:122088DTXCID30819066257-381-3YXLVLOWNJCOOAU-UHFFFAOYSA-N51756-08-2Methyl 2-ethyl-3-oxobutanoateMFCD01632136
이름 더 보기
methyl 2-ethylacetoacetatMethyl 2-ethylacetoacetate,97%2-ETHYLACETOACETIC METHYL ESTERMethyl-2-ethylacetoacetate, 98%+2-ETHYLACETOACETIC ACID METHYL ESTER2-ethyl-3-oxo-butanoicacimethylester2-Ethyl-3-oxobutyric acid methyl esterMethyl 2-ethylacetoacetate >=97.0% (GC)
2-Ethyl-3-oxobutanoic acid, methyl estermethyl-2-ethylacetoacetatemethyl acetylbutyratemethyl 2-acetylbutyratemethyl ethyl acetoacetateMethyl2-ethyl-3-oxobutanoateSCHEMBL222338methyl 2-ethyl-3-oxo-butyrate
데이터베이스 식별자
- CAS
51756-08-2- PubChem CID
- 103534
- DTXSID
DTXSID00871398- EC Number
- 257-381-3
- Nikkaji
- J113.160E
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 140
물리화학적 성질
- 끓는 점
- 189 · 189-191 °C
- 밀도
- 1.01 g/mL · 1.010 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.423
- 인화점
- 189 · 189-191°C
- 산도 계수 (pKa)
- 12 · 12.00±0.46(Predicted)
- BRN
- 1754068 · 1754068
- 화장품 원료 기능
- 향수
- InChI
- 1S/C7H12O3/c1-4-6(5(2)8)7(9)10-3/h6H,4H2,1-3H3
- InChIKey
- YXLVLOWNJCOOAU-UHFFFAOYSA-N
- SMILES
- CCC(C(C)=O)C(=O)OC
- LogP
- 1.063 · 1.063 (est)
- EPA
- 2 · Methyl 2-ethylacetoacetate (51756-08-2)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 94.7% (89 of 94) of all reports.
Not Classified
Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: Butanoic acid, 2-ethyl-3-oxo-, methyl ester
Other Safety InformationIMAP assessments - Butanoic acid, 2-ethyl-3-oxo-, methyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationButanoic acid, 2-ethyl-3-oxo-, methyl ester: INACTIVE
응용 분야
일반 설명Methyl 2-ethylacetoacetate participates in the preparation of 5,6-disubstituted-1,3-dioxine-4-one.
상·하류 제품 정보
하류 제품
공급사24 곳
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重庆欣博曜生物科技有限公司19122915778 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
山东明德生物技术有限公司15553348166 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
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