2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate

HCID 235097CAS 7305-59-1

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)OCC2COC(C)(C)O2)cc1
InChIKey: SRKDUHUULIWXFT-UHFFFAOYSA-N
분자식: C13H18O5S
평균 분자량: 286.35 g/mol
단동위원소 질량: 286.08749468

이름 및 식별자

우선 이름: 2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate
IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
영어명: 2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate
분자식: C13H18O5S
분자량: 286.35

이름 및 동의어

2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonateRefChem:441232628-104-77305-59-1(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonateD,L-Tosylisopropylideneglycerol(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzene-1-sulfonateNSC36147MFCD00063232Solketal TosylateNSC 361472,2-dimethyl-4-tosyloxymethyl-1,3-dioxolane

이름 더 보기

Landiolol Impurity 146DL-Tosylisopropylideneglycerol1,2-Isopropylidenedioxy-3-tosyloxypropane2,2-dimethyl-1,3-dioxolan-4-ylmethyl P-toluenesul2,2-DiMethyl-1,3-dioxolane-4-Methanol p-Toluenesulfonate(+/-)-1,2-(Isopropylidene)glycerol 3-(p-Toluenesulfonate)

SCHEMBL411517(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate #(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-ylmethyl- p-toluenesulfonate(R)-(2,2-Dimethyl-1,3-dioxolan-4-yl)-methyl 4-methylbenzenesulfonateSRKDUHUULIWXFT-UHFFFAOYSA-DTXSID101347171NSC-36147SBB037917

데이터베이스 식별자

CAS: 7305-59-1
PubChem CID: 235097
DTXSID: DTXSID101347171
EC Number: 628-104-7
Nikkaji: J686.668I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 70.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 390

물리화학적 성질

녹는점: 47 · 47-49 °C (lit.)
끓는 점: 400.1 · 400.1±25.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
용해도: 클로로포름에 용해됨
물리적 상태: 고체
색상: 하얀색
InChI: 1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3
InChIKey: SRKDUHUULIWXFT-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)OCC2COC(C)(C)O2

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 40 reports by companies from 3 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: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Protected D,L-Glycerol.

상·하류 제품 정보

상류 원료

공급사40 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]

연결된 노트

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