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1-Methyl-2-propylbenzene
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
134.109550448
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₄
0 references
canonical SMILES
CCCC1=CC=CC=C1C
0 references
found in taxon
Gossypium hirsutum
1 reference
stated in
Survey of the volatile constituents of cotton lint and waste with regard to byssinosis
Identifiers
InChI
InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
0 references
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
0 references
CAS Registry Number
1074-17-5
1 reference
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1074-17-5
PubChem CID
14091
1 reference
matched by identifier from
InChIKey
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
ChEBI ID
185869
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
UniChem compound ID
24082482
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP012267
0 references
NMRShiftDB structure ID
20097657
1 reference
matched by identifier from
InChIKey
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
DSSTox substance ID
DTXSID4061466
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2033075
0 references
NSC number
73977
0 references
Human Metabolome Database ID
HMDB0032627
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
UNII
SC345TN8SW
1 reference
matched by identifier from
InChIKey
InChIKey
YQZBFMJOASEONC-UHFFFAOYSA-N
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