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(Q63395490)
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English
isopropyl tiglate
chemical compound
tiglic acid isopropyl ester
isopropyl 2-methylcrotonate
isopropyl 2-methyl-2-butenoate
isopropyl (E)-2-methylbut-2-enoate
In more languages
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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
biogenic acyclic ester
0 references
isopropyl 2-methyl-2-butenoate
0 references
mass
142.099379688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₄O₂
0 references
canonical SMILES
CC=C(C)C(=O)OC(C)C
0 references
isomeric SMILES
C/C=C(\C)/C(=O)OC(C)C
0 references
found in taxon
Artemisia capillaris
1 reference
stated in
In vitro screening of essential oil from young and mature leaves of Artemisia scoparia compared to its major constituents for free radical scavenging activity
Identifiers
InChI
InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
0 references
InChIKey
VUPBIVVRPJDWNW-FNORWQNLSA-N
0 references
CAS Registry Number
1733-25-1
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1733-25-1
InChIKey
VUPBIVVRPJDWNW-FNORWQNLSA-N
ChemSpider ID
4519229
0 references
PubChem CID
5367745
1 reference
matched by identifier from
InChIKey
InChIKey
VUPBIVVRPJDWNW-FNORWQNLSA-N
ChEBI ID
180295
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
UniChem compound ID
16153597
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006839
0 references
DSSTox substance ID
DTXSID70883746
1 reference
matched by identifier from
InChIKey
InChIKey
VUPBIVVRPJDWNW-FNORWQNLSA-N
DSSTOX compound identifier
DTXCID10909196
0 references
UNII
50936QM86D
1 reference
matched by identifier from
InChIKey
InChIKey
VUPBIVVRPJDWNW-FNORWQNLSA-N
JECFA database ID
3288
0 references
JECFA number
312
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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