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English
3-Pentanol, acetate (8CI)(9CI)
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
130.099379688
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₄O₂
0 references
canonical SMILES
CCC(CC)OC(=O)C
0 references
Identifiers
InChI
InChI=1S/C7H14O2/c1-4-7(5-2)9-6(3)8/h7H,4-5H2,1-3H3
0 references
InChIKey
PBKYSIMDORTIEU-UHFFFAOYSA-N
0 references
CAS Registry Number
620-11-1
1 reference
InChIKey
PBKYSIMDORTIEU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=620-11-1
PubChem CID
69279
1 reference
matched by identifier from
InChIKey
InChIKey
PBKYSIMDORTIEU-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1584634
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBKYSIMDORTIEU-UHFFFAOYSA-N
UniChem compound ID
17698684
1 reference
stated in
UniChem
ZVG number
530498
1 reference
stated in
GESTIS database
quotation
CAS no.: 620-11-1
(English)
title
3-Pentylacetat
(German)
retrieved
1 November 2022
DSSTox substance ID
DTXSID20211030
1 reference
matched by identifier from
InChIKey
InChIKey
PBKYSIMDORTIEU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20133521
0 references
NSC number
11767
0 references
UNII
UX93PE6EJ9
1 reference
matched by identifier from
InChIKey
InChIKey
PBKYSIMDORTIEU-UHFFFAOYSA-N
OSHA Occupational Chemical Database ID
448
0 references
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