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(Q81989420)
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English
Phenol, 2-octyl-
chemical compound
o-octylphenol
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
chemical structure
2-Octylphenol.svg
129 × 90; 18 KB
0 references
mass
206.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O
0 references
canonical SMILES
CCCCCCCCC1=CC=CC=C1O
0 references
found in taxon
Ligusticum chuanxiong
1 reference
stated in
Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong
Conioselinum anthriscoides
1 reference
stated in
Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong
Ligusticum striatum
1 reference
stated in
Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong
Identifiers
InChI
InChI=1S/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3
0 references
InChIKey
DUIOKRXOKLLURE-UHFFFAOYSA-N
0 references
CAS Registry Number
949-13-3
1 reference
InChIKey
DUIOKRXOKLLURE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=949-13-3
PubChem CID
13700
1 reference
matched by identifier from
InChIKey
InChIKey
DUIOKRXOKLLURE-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL18808
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DUIOKRXOKLLURE-UHFFFAOYSA-N
UniChem compound ID
24874077
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID3061344
1 reference
matched by identifier from
InChIKey
InChIKey
DUIOKRXOKLLURE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3048942
0 references
EC number
213-437-9
0 references
ECHA Substance Infocard ID
100.012.216
0 references
Human Metabolome Database ID
HMDB0255918
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DUIOKRXOKLLURE-UHFFFAOYSA-N
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