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4247-02-3

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Basic Information
CAS No.: 4247-02-3
Name: Isobutylparaben
Article Data: 4
Molecular Structure:
Molecular Structure of 4247-02-3 (Isobutylparaben)
Formula: C11H14O3
Molecular Weight: 194.23
Synonyms: Benzoicacid, p-hydroxy-, isobutyl ester (6CI,7CI,8CI);2-Methylpropylp-hydroxybenzoate;Isobutyl p-hydroxybenzoate;Isobutylparaben;iso-Butyl p-hydroxybenzoate;p-Hydroxybenzoic acid isobutylester;
EINECS: 224-208-8
Density: 1.105 g/cm3
Melting Point: 76 °C
Boiling Point: 302.3 °C at 760 mmHg
Flash Point: 125.4 °C
Solubility: Insoluble in water.
Appearance: White solid
Hazard Symbols: HarmfulXn
Risk Codes: 51/53
Safety: 22-24/25
PSA: 46.53000
LogP: 2.20500
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  • Isobutyl 4-hydroxybenzoate

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    4247-02-3

    Isobutyl 4-hydroxybenzoate

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  • Isobutyl 4-hydroxybenzoate cas 4247-02-3

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  • isobutyl4-hydroxybenzoate

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    4247-02-3

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

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    4247-02-3

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

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    4247-02-3

    Isobutylparaben

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Chemistry

Molecular Structure of Benzoic acid,4-hydroxy-, 2-methylpropyl ester (CAS No.4247-02-3):

Molecular Formula: C11H14O3
Molecular Weight: 194.2271
IUPAC Name: 2-Methylpropyl 4-hydroxybenzoate
CAS No: 4247-02-3
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 5
Index of Refraction: 1.524
Molar Refractivity: 53.76 cm3
Molar Volume: 175.6 cm3
Surface Tension: 40.7 dyne/cm
Density: 1.105 g/cm3
Flash Point: 125.4 °C
Enthalpy of Vaporization: 56.42 kJ/mol
Boiling Point: 302.3 °C at 760 mmHg
Vapour Pressure: 0.000556 mmHg at 25°C
Canonical SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O
InChI: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,
1-2H3
InChIKey: XPJVKCRENWUEJH-UHFFFAOYSA-N
Classification Code: Drug/Therapeutic Agent
Appearance: White cream

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2600mg/kg (2600mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.

Safety Profile

Safety information of Benzoic acid,4-hydroxy-, 2-methylpropyl ester (CAS No.4247-02-3):
Hazard Codes: IrritantXi
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
RTECS: DH2247000
HazardClass: IRRITANT

Specification

  Benzoic acid,4-hydroxy-, 2-methylpropyl ester (CAS No.4247-02-3), it also can be called 2-Methylpropyl 4-hydroxybenzoate ; Isobutyl 4-hydroxybenzoate ; p-Hydroxybenzoic acid isobutyl ester ; p-Oxybenzoesaureisobutylester ; 4-Hydroxybenzoic acid isobutyl ester .