기본 정보
- CAS
36293-63-7- 표준 SMILES
CC(C)(C)OC(=O)C(C)(C)O- InChIKey
LYFHIDOIJPOKKR-UHFFFAOYSA-N- 분자식
- C8H16O3
- 평균 분자량
- 160.21 g/mol
- 단동위원소 질량
- 160.10994437
이름 및 식별자
- 우선 이름
- tert-Butyl 2-hydroxyisobutyrate
- IUPAC
- tert-butyl 2-hydroxy-2-methylpropanoate
- 현지명
- TERT-부틸알파하이드록시이소부티레이트
- 영어명
- TERT-BUTYL ALPHA-HYDROXYISOBUTYRATE
- 분자식
- C8H16O3
- 분자량
- 160.21
이름 및 동의어
tert-Butyl 2-hydroxyisobutyrateEINECS 252-952-3RefChem:892628252-952-3tert-butyl 2-hydroxy-2-methylpropanoate36293-63-7tert-Butyl alpha-hydroxyisobutyrateMFCD00042977t-butyl 2-hydroxyisobutyrateSCHEMBL362903tert.-Butyl 2-hydroxy-2-methylpropanoatetert-Butyl |A-hydroxyisobutyrate
이름 더 보기
TERT-부틸알파하이드록시이소부티레이트tert-butyl α-hydroxyisobutyratetert-Butyl α-hydroxyisobutyrateTERT-BUTYL ALPHA-HYDROXYISOBUTRATE)tert-Butyl α-hydroxyisobutyrateTert-butyl 2-hydroxy-2- methylpropanoate2-Hydroxyisobutyric acid tertiarybutyl ester2-hydroxy-2-methylpropanoic acidtertbutyl estertert-Butyl α-hydroxyisobutyrate, CAS 36293-63-72-Hydroxy-2-methylpropanoic acid 1,1-dimethylethyl ester
tert-Butyl alpha -hydroxyisobutyratet-butyl 2-methyl-2hySCHEMBL4677923SCHEMBL27819886tert-Butyl |_-hydroxyisobutyrateDTXSID00957666t-butyl 2-methyl-2hydroxypropionateAC9296
데이터베이스 식별자
- CAS
36293-63-7- PubChem CID
- 118940
- DTXSID
DTXSID00957666- EC Number
- 252-952-3
- Nikkaji
- J319.623B
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 153
물리화학적 성질
- 끓는 점
- 161.7 · 161.7±8.0 °C(Predicted)
- 밀도
- 0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.404(lit.)
- 인화점
- 49 °C · 49°C
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 13.14 · 13.14±0.29(Predicted)
- BRN
- 2351840 · 2351840
- InChI
- InChI=1S/C8H16O3/c1-7(2,3)11-6(9)8(4,5)10/h10H,1-5H3
- InChIKey
- LYFHIDOIJPOKKR-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)C(O)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 08-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21268
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- risk_code
- 10
- 포장분류
- III
- 위험 등급
- 3.2
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
공급사33 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [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]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
海蔚化学86-21-51086038 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Aladdin Scientific[email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
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