ChemicalBook--->CAS DataBase List--->4247-02-3

4247-02-3

4247-02-3 Structure

4247-02-3 Structure
IdentificationMore
[Name]

Isobutyl 4-hydroxybenzoate
[CAS]

4247-02-3
[Synonyms]

4-HYDROXYBENZOIC ACID ISOBUTYL ESTER
ISOBUTYL 4-HYDROXYBENZOATE
ISOBUTYLPARABEN
ISOBUTYL P-HYDROXYBENZOATE
2-methylpropyl4-hydroxybenzoate
4-hydroxy-benzoicaci2-methylpropylester
Benzoicacid,4-hydroxy-,2-methylpropylester
p-hydroxybenzoicacidisobutylester
p-hydroxy-benzoicaciisobutylester
p-oxybenzoesaureisobutylester
PARA-HYDROXYBENZOICACIDISO-BUTYLESTER
lsolbutyl p-hydroxybenzoate
4-Hydroxybenzoic acid isobutyl
p-Hydroxybenzoic acid isobutyl
[EINECS(EC#)]

224-208-8
[Molecular Formula]

C11H14O3
[MDL Number]

MFCD00020167
[Molecular Weight]

194.23
[MOL File]

4247-02-3.mol
Chemical PropertiesBack Directory
[Melting point ]

76°C
[Boiling point ]

302.3±15.0 °C(Predicted)
[density ]

1.105±0.06 g/cm3(Predicted)
[vapor pressure ]

0.001Pa at 20℃
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

8.17±0.15(Predicted)
[color ]

White
[Water Solubility ]

Insoluble in water.
[BRN ]

2642305
[Cosmetics Ingredients Functions]

PRESERVATIVE
ANTIMICROBIAL
[Cosmetic Ingredient Review (CIR)]

Isobutylparaben (4247-02-3)
[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
[Contact allergens]

This substance is one of the parabens family. Parabens are esters formed by p-hydroxybenzoic acid and an alcohol. They are largely used as biocides in cosmetics and toiletries, medicaments, or food. They have synergistic power with other biocides. Parabens can induce allergic contact dermatitis, mainly in chronic dermatitis and wounded skin.
[InChIKey]

XPJVKCRENWUEJH-UHFFFAOYSA-N
[SMILES]

C(OCC(C)C)(=O)C1=CC=C(O)C=C1
[LogP]

3.43 at 23℃
[CAS DataBase Reference]

4247-02-3(CAS DataBase Reference)
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

An antimicrobial
[Definition]

ChEBI: Isobutylparaben is a 4-hydroxybenzoate ester.
[Flammability and Explosibility]

Nonflammable
[storage]

Store at -20°C
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H315-H318
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
[Hazard Codes ]

Xi
[Risk Statements ]

51/53
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

2
[RTECS ]

DH2247000
[REACH Registrations]

Inactive
[HazardClass ]

IRRITANT
[HS Code ]

29182900
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->2-Methyl-1-propanol-->4-Hydroxybenzoic acid-->4-Hydroxyphenylacetic acid-->GLOBULINS, CAT GAMMA
Spectrum DetailBack Directory
[Spectrum Detail]

Isobutylparaben(4247-02-3)MS
Isobutylparaben(4247-02-3)1HNMR
Isobutylparaben(4247-02-3)13CNMR
Isobutylparaben(4247-02-3)IR1
Isobutylparaben(4247-02-3)IR2
Isobutylparaben(4247-02-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isobutyl 4-hydroxybenzoate, 98%(4247-02-3)
[Sigma Aldrich]

4247-02-3(sigmaaldrich)
[TCI AMERICA]

Isobutyl 4-Hydroxybenzoate,>99.0%(T)(4247-02-3)
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