Ethanol, 2-(1,4-benzodioxan-2-yl)-

HCID 98334
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Basic information

CAS
62590-71-0
Standard SMILES
OCCC1COc2ccccc2O1
InChIKey
VRCHCDXHBXLNKZ-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Names & identifiers

Preferred name
Ethanol, 2-(1,4-benzodioxan-2-yl)-
IUPAC
2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
English name
CHEMBRDG-BB 4015698
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

62590-71-0Ethanol, 2-(1,4-benzodioxan-2-yl)-RefChem:10844612-(1,4-Benzodioxan-2-yl)ethanol2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanol2-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)ethanol2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanolMFCD017280562-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)ethan-1-olCHEMBRDG-BB 40156982-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-olNSC106883
Show more names
1,4-Benzodioxin-2-ethanol, 2,3-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanol(SALTDATA: FREE)
2-hydroxyethyl-l,4-benzodioxanSCHEMBL1545537SCHEMBL15683932-hydroxyethyl-1,4-benzodioxanSCHEMBL11224436VRCHCDXHBXLNKZ-UHFFFAOYSA-NDTXSID6013849522-(2-hydroxyethyl)benzo-1,4-dioxan

Database identifiers

CAS
62590-71-0
PubChem CID
98334
DTXSID
DTXSID601384952
Nikkaji
J92.923I

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

storage temp.
Store at room temperature
form
solid
Appearance
Colorless to light yellow Liquid
InChI
1S/C10H12O3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8,11H,5-7H2
InChIKey
VRCHCDXHBXLNKZ-UHFFFAOYSA-N
SMILES
OCCC1COc2ccccc2O1

Safety & regulation

Safety data

wgk
3
Storage Class
11 - Combustible Solids

Chemistry & industry

Suppliers6 total

Aladdin Scientific[email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
合肥启明医药科技有限公司15105695099
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

80 records
New reaction record

Compound notes

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