1,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-methylbenzenesulfonate)

HCID 567489

Basic information

CAS
23511-05-9
Standard SMILES
Cc1ccc(S(=O)(=O)OC2CCC3(CC2)OCCO3)cc1
InChIKey
OWOKCUXVMOFUSP-UHFFFAOYSA-N
Molecular formula
C15H20O5S
Average molar mass
312.4 g/mol
Monoisotopic mass
312.10314491

Names & identifiers

Preferred name
1,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-methylbenzenesulfonate)
IUPAC
1,4-dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonate
English name
1,4-Dioxaspiro[4.5]decan-8-ol 4-methylbenzenesulfonate
Molecular formula
C15H20O5S
Molecular weight
312.38

Names & synonyms

23511-05-91,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-methylbenzenesulfonate)1,4-Dioxaspiro(4.5)decan-8-ol, 8-(4-methylbenzenesulfonate)RefChem:2207601,4-dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonateMFCD184294611,4-Dioxaspiro[4.5]decan-8-ol 4-methylbenzenesulfonate1,4-dioxaspiro[4.5]decan-8-yl 4-methylbenzene-1-sulfonate8-tosyloxy-1,4-dioxaspiro[4,5]decane1,4-Dioxaspiro[4.5]dec-8-yl 4-methylbenzenesulfonate1,4-dioxaspiro[4.5]decan-8-yl4-methylbenzenesulfonatetoluene-4-sulfonic acid 1,4-dioxa-spiro[4.5]dec-8-yl ester
Show more names
1,4-Dioxaspiro[4,5]dec-8-yl-4-methylbenzene sulfonate1,4-Dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonate - [D94575]
1,4-Dioxaspiro[4.5]decan-8-ol, p-toluenesulfonateSCHEMBL565372DTXSID20340793XH09518-Tosyloxy-1,4-dioxaspiro[4.5]decaneBS-27901SY333159DB-121199

Database identifiers

CAS
23511-05-9
PubChem CID
567489
DTXSID
DTXSID20340793
Nikkaji
J143.259A

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
70.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Physicochemical properties

storage temp.
Store at room temperature
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers27 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

36 records

Compound notes

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