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1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-ol

HCID 4675151
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
7338-03-6
Standard SMILES
CC(O)c1ccc2c(c1)OCCO2
InChIKey
QSYTYSANYGEBEZ-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Names & identifiers

Preferred name
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-ol
IUPAC
1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

Names & synonyms

7338-03-61-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-olRefChem:420328851-176-81-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol1-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)ETHAN-1-OLMFCD006268451-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethanolSCHEMBL4803759SCHEMBL14376154SCHEMBL17541509HFA48627
Show more names
STK045654AKOS000249538AKOS016054803AS-43668DB-179804EN300-51558Z335245042

Database identifiers

CAS
7338-03-6
PubChem CID
4675151
EC Number
851-176-8

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
172

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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