Isobutylparaben

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Names

[ CAS No. ]:
4247-02-3

[ Name ]:
Isobutylparaben

[Synonym ]:
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

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

[ Storage condition ]:
0-6°C

MSDS

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

Synthetic Route

Precursor & DownStream

Precursor

  • isobutanol
  • 4-Hydroxybenzoic acid

DownStream

  • methyl 4-acetoxybenzoate
  • ethyl 4-acetyloxybenzoate
  • benzyl 4-acetoxybenzoate
  • propyl 4-acetyloxybenzoate

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%

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Related Compounds

  • isobutylparaben
  • Isobutylparaben-d4