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(Q67879967)
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English
isothymol methyl ether
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
164.120115132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₆O
0 references
canonical SMILES
CC1=CC(=C(C=C1)OC)C(C)C
0 references
found in taxon
Bishovia boliviensis
1 reference
stated in
Ein neues labdan-derivat und neue thymol-derivate aus Bishovia boliviensis
Calea oxylepis
1 reference
stated in
New heliangolides from Calea oxylepis
Atractylodes lancea
1 reference
stated in
Insecticidal compounds from the essential oil of Chinese medicinal herb Atractylodes chinensis.
Cyclospermum leptophyllum
1 reference
stated in
A Study on the Composition, Antimicrobial and Antioxidant Activities of the Leaf Essential Oil of Apium leptophylum (Pers.) Benth. Growing in Ethiopia
Identifiers
InChI
InChI=1S/C11H16O/c1-8(2)10-7-9(3)5-6-11(10)12-4/h5-8H,1-4H3
0 references
InChIKey
CVUAHQAQHICPSF-UHFFFAOYSA-N
0 references
CAS Registry Number
31574-44-4
1 reference
InChIKey
CVUAHQAQHICPSF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=31574-44-4
PubChem CID
161716
1 reference
matched by identifier from
InChIKey
InChIKey
CVUAHQAQHICPSF-UHFFFAOYSA-N
ChEBI ID
167341
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H16O/c1-8(2)10-7-9(3)5-6-11(10)12-4/h5-8H,1-4H3
SureChEMBL ID
SCHEMBL10238859
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CVUAHQAQHICPSF-UHFFFAOYSA-N
UniChem compound ID
26809732
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID4052001
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
CVUAHQAQHICPSF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2030564
0 references
AICS Chemical ID (BEING DELETED)
17833
0 references
UNII
967E4VC54K
1 reference
matched by identifier from
InChIKey
InChIKey
CVUAHQAQHICPSF-UHFFFAOYSA-N
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