CAS 4247-02-3|Isobutylparaben

Introduction：Basic information about CAS 4247-02-3|Isobutylparaben, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Isobutylparaben BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles3
8. Synonyms

Common Name	Isobutylparaben
CAS Number	4247-02-3	Molecular Weight	194.227
Density	1.1±0.1 g/cm3	Boiling Point	302.3±15.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₄O₃	Melting Point	76°C
MSDS	USA	Flash Point	125.4±13.2 °C
Symbol	GHS07, GHS09	Signal Word	Warning

Names

Name	Isobutyl 4-hydroxybenzoate
Synonym	More Synonyms

Isobutylparaben BiologicalActivity

Description	Isobutylparaben (Isobutyl 4-hydroxybenzoate) is a constitutive androstane receptor (CAR) activator. Isobutylparaben has a broad-spectrum antimicrobial activity and widely used in personal care products and cosmetics[1].
Related Catalog	Research Areas >>Inflammation/ImmunologySignaling Pathways >>Anti-infection >>Bacterial
References	[1]. Chieri Fujino, et al. Comparative Study of the Effect of 17 Parabens on PXR-, CAR- And PPARα-mediated Transcriptional Activation. Food Chem Toxicol. 2019 Nov;133:110792. [2]. Fei Meng, et al. Isobutylparaben Negatively Affects Porcine Oocyte Maturation Through Increasing Oxidative Stress and Cytoskeletal Abnormalities. Environ Mol Mutagen. 2020 Apr;61(4):433-444.

Description

Isobutylparaben (Isobutyl 4-hydroxybenzoate) is a constitutive androstane receptor (CAR) activator. Isobutylparaben has a broad-spectrum antimicrobial activity and widely used in personal care products and cosmetics[1].

Related Catalog

Research Areas >>Inflammation/ImmunologySignaling Pathways >>Anti-infection >>Bacterial

References

[1]. Chieri Fujino, et al. Comparative Study of the Effect of 17 Parabens on PXR-, CAR- And PPARα-mediated Transcriptional Activation. Food Chem Toxicol. 2019 Nov;133:110792.

[2]. Fei Meng, et al. Isobutylparaben Negatively Affects Porcine Oocyte Maturation Through Increasing Oxidative Stress and Cytoskeletal Abnormalities. Environ Mol Mutagen. 2020 Apr;61(4):433-444.

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	302.3±15.0 °C at 760 mmHg
Melting Point	76°C
Molecular Formula	C₁₁H₁₄O₃
Molecular Weight	194.227
Flash Point	125.4±13.2 °C
Exact Mass	194.094299
PSA	46.53000
LogP	3.28
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.524
InChIKey	XPJVKCRENWUEJH-UHFFFAOYSA-N
SMILES	CC(C)COC(=O)c1ccc(O)cc1
Storage condition	0-6°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH2247000

CHEMICAL NAME :: Benzoic acid, p-hydroxy-, isobutyl ester

CAS REGISTRY NUMBER :: 4247-02-3

BEILSTEIN REFERENCE NO. :: 2642305

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-O3

MOLECULAR WEIGHT :: 194.25

WISWESSER LINE NOTATION :: QR DVO1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 128,135,1960

Safety Information

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H315-H319-H411
Precautionary Statements	P305 + P351 + P338
Hazard Codes	Xn: Harmful;
Risk Phrases	51/53
Safety Phrases	S22-S24/25
RIDADR	UN 3077 9/PG 3
RTECS	DH2247000
HS Code	2918290000

Customs

HS Code	2918290000
Summary	HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Articles3

Determination and separation of bisphenol A, phthalate metabolites and structural isomers of parabens in human urine with conventional high-pressure liquid chromatography combined with electrospray ionisation tandem mass spectrometry.

Anal. Bioanal. Chem 407(9) , 2509-18, (2015)

Phthalates, bisphenol A (BPA) and parabens (PBs), organic chemicals widely used in everyday products, are considered to be endocrine disruptors. We propose a liquid chromatography-tandem mass spectrom...

Cosmetics-triggered percutaneous remote control of transgene expression in mice.

Nucleic Acids Res. 43 , e91, (2015)

Synthetic biology has significantly advanced the rational design of trigger-inducible gene switches that program cellular behavior in a reliable and predictable manner. Capitalizing on genetic compone...

Improved sensitivity gas chromatography-mass spectrometry determination of parabens in waters using ionic liquids.

Talanta 146 , 568-74, (2015)

A new procedure for the introduction of ionic liquid samples in gas chromatography (GC) is proposed. This procedure, based on microvial insert thermal desorption, allows the direct analysis of the com...

Synonyms

Benzoic acid, 4-hydroxy-, 2-methylpropyl ester

EINECS 224-208-8

Isobutyl 4-hydroxybenzoate

Isobutyl paraben

Benzoic acid, 4-hydroxy-, 2-methylpropyl ester (9CI)

2-methylpropyl 4-hydroxybenzoate

MFCD00020167

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