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Cas Database |
| Name |
Isobutyl 4-hydroxybenzoate |
EINECS | 224-208-8 |
| CAS No. | 4247-02-3 | Density | 1.105 g/cm3 |
| PSA | 46.53000 | LogP | 2.20500 |
| Solubility | Insoluble in water. | Melting Point |
76 °C |
| Formula | C11H14O3 | Boiling Point | 302.3 °C at 760 mmHg |
| Molecular Weight | 194.23 | Flash Point | 125.4 °C |
| Transport Information | N/A | Appearance | White solid |
| Safety | 22-24/25 | Risk Codes | 51/53 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Benzoicacid, p-hydroxy-, isobutyl ester (6CI,7CI,8CI);2-Methylpropylp-hydroxybenzoate;Isobutyl p-hydroxybenzoate;Isobutylparaben;iso-Butyl p-hydroxybenzoate;p-Hydroxybenzoic acid isobutylester; |
Article Data | 4 |
Isobutyl 4-hydroxybenzoate Chemical Properties
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
Isobutyl 4-hydroxybenzoate 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. |
Isobutyl 4-hydroxybenzoate Safety Profile
Safety information of Benzoic acid,4-hydroxy-, 2-methylpropyl ester (CAS No.4247-02-3):
Hazard Codes: 
Xi
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
RTECS: DH2247000
HazardClass: IRRITANT
Isobutyl 4-hydroxybenzoate 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 .
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