기본 정보
- CAS
91526-18-0- 표준 SMILES
Cc1oc(=O)oc1CO- InChIKey
JEQSUJXHFAXJOW-UHFFFAOYSA-N- 분자식
- C5H6O4
- 평균 분자량
- 130.1 g/mol
- 단동위원소 질량
- 130.02660867
이름 및 식별자
- 우선 이름
- 4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one
- IUPAC
- 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
- 현지명
- 4-(히드록시메틸)-5-메틸-1,3-디옥솔-2-오나
- 영어명
- 4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one
- 분자식
- C5H6O4
- 분자량
- 130.1
이름 및 동의어
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one91526-18-0DTXSID10440953RefChem:289097DTXCID70391775839-946-11,3-Dioxol-2-one, 4-(hydroxymethyl)-5-methyl-MFCD121658964-hydroxymethyl-5-methyl-1,3-dioxol-2-one4-hydroxymethyl-5-methyl-[1,3]dioxol-2-oneAKOS015995479SB41037
이름 더 보기
4-(히드록시메틸)-5-메틸-1,3-디옥솔-2-오나DMDO-OH4-(HydroxyMethyl)-5-Methyl-[1,3]dioxol-2-oneAZATMint-DAzilsartan Impurity 55Azilasartan medoximil(HPLC-98.2%)4-(hidroximetil)-5-metil-1,3-dioxol-2-ona4-(hidroxiMetil)-5-Metil-1,3-dioxol-2-one4-(hydroxymethyl)-5-methyl-l,3-dioxol-2-one4-(HydroxyMethyl)-5-Methyl-?,3]dioxol-2-one4-(hydroxymethyl)-5-methyl-1,3-Diaxole-2-one
AC-259085-methyl-4-hydroxymethyl-2-oxo-1,3-dioxolene(5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl alcoholFT-0696490SCHEMBL264154-(hydroxymethyl)-5-methyl-2H-1,3-dioxol-2-oneSCHEMBL950801Q9QS9HQ298
데이터베이스 식별자
- CAS
91526-18-0- PubChem CID
- 10510878
- DTXSID
DTXSID10440953- UNII
- Q9QS9HQ298
- EC Number
- 839-946-1
- Nikkaji
- J473.782B
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 170
물리화학적 성질
- 끓는 점
- 214 ℃ · 214℃
- 밀도
- 1.367 · 1.367
- 인화점
- 93 ℃ · 93℃
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 14.54 · 14.54±0.10(Predicted)
- 색상
- 옅은 노랑
- InChI
- InChI=1S/C5H6O4/c1-3-4(2-6)9-5(7)8-3/h6H,2H2,1H3
- InChIKey
- JEQSUJXHFAXJOW-UHFFFAOYSA-N
- SMILES
- O1C(C)=C(CO)OC1=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (66.7%)
안전 데이터
- HS 번호
- 2932990090
화학 및 산업
응용 분야
개요4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one is a reagent used in organic synthesis, particularly for the introduction of the non-chiral (oxodioxolenyl)methyl carbamate group to active pharmaceutical ingredients (APIs) to afford the corresponding pro-drug.
용도4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one is used in preparation method of key intermediate of olmesartan medoxomil.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
38건
화합물 노트
불러오는 중…