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(Q82952740)
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5-Methyl-2-(propan-2-yl)phenyl 2-methylpropanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
220.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₀O₂
0 references
canonical SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)C(C)C
0 references
found in taxon
Sphaeranthus bullatus
1 reference
stated in
Carvotacetone derivatives and eudesman-12,6β-olides from Sphaeranthus species
Ageratina anisochroma
1 reference
stated in
Germacranolides and other constituents from Ageratina species
Arnica amplexicaulis
1 reference
stated in
Neue thymol-derivative aus arnica amplexicaulis
Arnica montana
1 reference
stated in
Studies on components of Arnica species. V. Content and content differences of volatile oil in various organs of Arnica species
Calea villosa
1 reference
stated in
Three furanoheliangolides from Calea villosa
Eupatorium fortunei
1 reference
stated in
Thymol derivatives from Eupatorium fortunei
Marshallia obovata
1 reference
stated in
Chromones and flavans from Marshallia obovata
Mikania goyazensis
1 reference
stated in
A dimeric germacranolide and other sesquiterpene lactones from Mikania species
Mikania pohlii
1 reference
stated in
A dimeric germacranolide and other sesquiterpene lactones from Mikania species
Picradeniopsis multiflora
1 reference
stated in
Neue diterpene aus Schkuhria-arten
Duhaldea nervosa
1 reference
stated in
Inulavosin, a New Thymol Dimer with Piscicidal Activity from Inula nervosa
Pulicaria arabica
1 reference
stated in
Caryophyllene derivatives from Pulicaria arabica
Ageratina adenophora
1 reference
stated in
Constituents of the flower essential oil ofAgeratina adenophora (Spreng.) K. et R. from India
Identifiers
InChI
InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3
0 references
InChIKey
HTPVUEJWIFHSCK-UHFFFAOYSA-N
0 references
CAS Registry Number
5451-67-2
1 reference
InChIKey
HTPVUEJWIFHSCK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5451-67-2
PubChem CID
228738
1 reference
matched by identifier from
InChIKey
InChIKey
HTPVUEJWIFHSCK-UHFFFAOYSA-N
UniChem compound ID
6199618
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30969717
1 reference
matched by identifier from
InChIKey
InChIKey
HTPVUEJWIFHSCK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID701397267
0 references
NSC number
21848
0 references
KNApSAcK ID
C00056174
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HTPVUEJWIFHSCK-UHFFFAOYSA-N
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