ISOPROPYLPARABEN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O3
Molecular Weight	180.2005
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)OC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=CMHMMKSPYOOVGI-UHFFFAOYSA-N

InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H12O3
Molecular Weight	180.2005
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
[Competitive binding of some alkyl p-hydroxybenzoates to human estrogen receptor alpha and beta].	2000 Dec	11193391
ER-dependent estrogenic activity of parabens assessed by proliferation of human breast cancer MCF-7 cells and expression of ERalpha and PR.	2001 Dec	11696396
A review of the endocrine activity of parabens and implications for potential risks to human health.	2005 Jun	16097138
[Simultaneous determination of 7 kinds of preservatives and saccharin in foods with HPLC, and identification with LC/MS/MS].	2007 Dec	18203501
[Simultaneous determination of nine kinds of preservatives in foods by HPLC].	2007 Jun	17657998
Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products.	2008	19101832
[Application of single drop microextraction in the determination of phthalate esters and parabens in drugs by gas chromatography-mass spectrometry].	2008 May	18724664
Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography.	2008 Oct	18822043
Parabens in male infertility-is there a mitochondrial connection?	2009 Jan	19007877
[Determination of six p-hydroxybenzoates in fruits and jams using solid-phase extraction-high performance liquid chromatography].	2009 Nov	20352935
An evaluation of estrogenic activity of parabens using uterine calbindin-d9k gene in an immature rat model.	2009 Nov	19654335
Urinary concentrations of four parabens in the U.S. population: NHANES 2005-2006.	2010 May	20056562

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:13:12 UTC 2023` Edited by `admin` on `Fri Dec 15 15:13:12 UTC 2023`
Record UNII	A6EOX47QK0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPROPYLPARABEN

Official Name

English

ISOPROPYL P-HYDROXYBENZOATE

Common Name

English

4-HYDROXYBENZOIC ACID, 1-METHYLETHYL ESTER

Common Name

English

1-METHYLETHYL-4-HYDROXYBENZOATE

Systematic Name

English

BENZOIC ACID, 4-HYDROXY-, 1-METHYLETHYL ESTER

Common Name

English

ISOPROPYLPARABEN [INCI]

Common Name

English

P-HYDROXYBENZOIC ACID ISOPROPYL ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C92608