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(Q82630791)
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English
3-Methyl-1-(1-propoxyethoxy)butane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
174.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₂₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCOC(C)OCCC(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H22O2/c1-5-7-11-10(4)12-8-6-9(2)3/h9-10H,5-8H2,1-4H3
0 references
InChIKey
VPJHYSGCDYPNSB-UHFFFAOYSA-N
0 references
CAS Registry Number
238757-63-6
0 references
PubChem CID
53428151
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
VPJHYSGCDYPNSB-UHFFFAOYSA-N
UniChem compound ID
60573661
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP009280
0 references
DSSTox substance ID
DTXSID90699765
1 reference
matched by identifier from
InChIKey
InChIKey
VPJHYSGCDYPNSB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50650514
0 references
FL number
06.047
1 reference
quotation
CAS no.: 238757-63-6
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
06.047
UNII
W69ZWS9BSA
1 reference
matched by identifier from
InChIKey
InChIKey
VPJHYSGCDYPNSB-UHFFFAOYSA-N
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