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(Q81986425)
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English
Myrtanyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pinane monoterpenoid
0 references
mass
196.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀O₂
0 references
canonical SMILES
O=C(OCC1CCC2CC1C2(C)C)C
0 references
found in taxon
Angelica gigas
1 reference
stated in
Volatile organic compounds of Angelica gigas Nakai, Korean medicinal herb
Identifiers
InChI
InChI=1S/C12H20O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h9-11H,4-7H2,1-3H3
0 references
InChIKey
UWHRPSXEBAXLDR-UHFFFAOYSA-N
0 references
CAS Registry Number
29021-36-1
1 reference
InChIKey
UWHRPSXEBAXLDR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=29021-36-1
PubChem CID
119852
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
UWHRPSXEBAXLDR-UHFFFAOYSA-N
UniChem compound ID
50313226
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30865462
1 reference
matched by identifier from
InChIKey
InChIKey
UWHRPSXEBAXLDR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30813867
0 references
FL number
09.670
1 reference
quotation
CAS no.: 29021-36-1
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.670
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