기본 정보
- CAS
63473-60-9- 표준 SMILES
COC(=O)C[C@H](C)CC(=O)O- InChIKey
BYBMHSADRRMVHY-RXMQYKEDSA-N- 분자식
- C7H12O4
- 평균 분자량
- 160.17 g/mol
- 단동위원소 질량
- 160.07355886
이름 및 식별자
- 우선 이름
- (R)-1-Methyl hydrogen 3-methylglutarate
- IUPAC
- (3R)-5-methoxy-3-methyl-5-oxopentanoic acid
- 현지명
- (R)-1-메틸하이드로젠3-메틸글루타레이트
- 영어명
- (R)-1-Methyl hydrogen 3-methylglutarate
- 분자식
- C7H12O4
- 분자량
- 160.17
이름 및 동의어
(R)-1-Methyl hydrogen 3-methylglutarateRefChem:407126627-790-563473-60-9(3R)-5-methoxy-3-methyl-5-oxopentanoic acid(R)-5-Methoxy-3-methyl-5-oxopentanoic acidMFCD00134521(3R)-5-Methoxy-3-methyl-5-oxo-pentanoic acid(R)-3-Methylpentanedioic Acid Monomethyl EsterMethyl (R)-(+)-3-methylglutarateSCHEMBL286783DTXSID80426441
이름 더 보기
(R)-1-메틸하이드로젠3-메틸글루타레이트(R)-MONO-METHYL 3-METHYLGLUTARATE(r)-methyl mono-(3-methylglutarate)(3R)-5-methoxy-3-methyl-5-oxopentanoicaci(R)-3-Methylglutaric acid monomethyl ester
AKOS017343555SY4194903-(R)-methylglutaric acid mono methyl ester(3r)-3-methyl-5-methoxy-5-oxopentanoic acid3(R)-methyl-pentanedioic acid monomethyl ester3-(R)-Methyl-pentanedioic acid monomethyl ester(R,S)-3-Methyl-pentanedioic acid monomethyl ester(R)-1-Methyl hydrogen 3-methylglutarate, >=98.0% (sum of enantiomers, GC)
데이터베이스 식별자
- CAS
63473-60-9- PubChem CID
- 6999733
- DTXSID
DTXSID80426441- EC Number
- 627-790-5
- Nikkaji
- J1.350.075D
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 153
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 끓는 점
- 103 · 103-104 °C0.4 mm Hg(lit.)
- 밀도
- 1.125 g/mL · 1.125 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.438
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- BRN
- 1723141 · 1723141
- InChI
- 1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1
- InChIKey
- BYBMHSADRRMVHY-RXMQYKEDSA-N
- SMILES
- COC(=O)C[C@H](C)CC(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
공급사29 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
南京世洲生物科技有限公司13675144456 · [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]
韶远科技（上海）有限公司4000665055 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
上海京河医药科技有限公司21-13482015261-883 13482015261 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
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湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
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SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [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]
榆林润天畅化工有限责任公司15890142075 15890142075 · [email protected]
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Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
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