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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O3
Molecular Weight 194.2271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYLPARABEN

SMILES

CCCCOC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=QFOHBWFCKVYLES-UHFFFAOYSA-N
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

HIDE SMILES / InChI
Molecular Formula C11H14O3
Molecular Weight 194.2271
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:29:16 UTC 2023
Edited
by admin
on Fri Dec 15 15:29:16 UTC 2023
Record UNII
3QPI1U3FV8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYLPARABEN
HSDB   II   INCI   MI   USP-RS   VANDF  
INCI  
Official Name English
BUTYLPARABEN [USP-RS]
Common Name English
BUTYLPARABEN [VANDF]
Common Name English
FEMA NO. 2203
Code English
BUTYLPARABEN [II]
Common Name English
BUTYL P-HYDROXY BENZOATE
FHFI  
Common Name English
BUTYLPARABEN [MI]
Common Name English
BUTYL PARAHYDROXYBENZOATE
EP  
Systematic Name English
BUTYL HYDROXYBENZOATE [MART.]
Common Name English
BUTYL PARABEN
Common Name English
Butyl hydroxybenzoate [WHO-DD]
Common Name English
NSC-13164
Code English
BUTYL PARAHYDROXYBENZOATE [EP MONOGRAPH]
Common Name English
BUTYL PARAHYDROXYBENZOATE [JAN]
Common Name English
METHYL PARAHYDROXYBENZOATE IMPURITY D [EP IMPURITY]
Common Name English
BUTYLPARABEN [HSDB]
Common Name English
BUTYL P-HYDROXY BENZOATE [FHFI]
Common Name English
BUTYL HYDROXYBENZOATE
MART.   WHO-DD  
Systematic Name English
BUTYLPARABEN [INCI]
Common Name English
BUTYL PARAHYDROXYBENZOATE [EP IMPURITY]
Common Name English
PROPYL HYDROXYBENZOATE IMPURITY D [EP IMPURITY]
Common Name English
Butyl 4-hydroxybenzoate
Systematic Name English
BENZOIC ACID, 4-HYDROXY-, BUTYL ESTER
Common Name English
Classification Tree Code System Code
NDF-RT N0000185508
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
EPA PESTICIDE CODE 61205
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
NCI_THESAURUS C92608
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
JECFA EVALUATION BUTYL P-HYDROXYBENZOATE
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
Code System Code Type Description
DRUG BANK
DB14084
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
WIKIPEDIA
BUTYLPARABEN
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL459008
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
MESH
C038091
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
PUBCHEM
7184
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
NDF-RT
N0000184306
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY Cell-mediated Immunity [PE]
NDF-RT
N0000171131
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY Allergens [Chemical/Ingredient]
EVMPD
SUB11763MIG
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
NCI_THESAURUS
C76701
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
CAS
94-26-8
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
JECFA MONOGRAPH
1132
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
SMS_ID
100000076383
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
202-318-7
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
FDA UNII
3QPI1U3FV8
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
NDF-RT
N0000175629
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY Increased Histamine Release [PE]
DAILYMED
3QPI1U3FV8
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
RXCUI
1306937
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID3020209
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
MERCK INDEX
m2857
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY Merck Index
HSDB
286
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
RS_ITEM_NUM
1084000
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
NSC
13164
Created by admin on Fri Dec 15 15:29:16 UTC 2023 , Edited by admin on Fri Dec 15 15:29:16 UTC 2023
PRIMARY
Related Record Type Details
Structure of POTASSIUM BUTYLPARABEN
SALT/SOLVATE -> PARENT
Structure of BUTYLPARABEN SODIUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of METHYLPARABEN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of PROPYLPARABEN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of BUTYLPARABEN
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