ChemicalBook--->CAS DataBase List--->4191-73-5

4191-73-5

4191-73-5 Structure

4191-73-5 Structure
IdentificationMore
[Name]

Isopropylparaben
[CAS]

4191-73-5
[Synonyms]

4-hydroxybenzoic acid 1-methylethyl ester
4-HYDROXYBENZOIC ACID ISOPROPYL ESTER
BENZOIC ACID, 4-HYDROXY-, 1-METHYLETHYL ESTER
ISOPROPYL 4-HYDROXYBENZOATE
ISOPROPYLHYDROXYBENZOATE
ISOPROPYLPARABEN
ISOPROPYL P-HYDROXYBENZOATE
P-HYDROXY BENZOIC ACID ISOPROPYL ESTER
1-methylethyl4-hydroxybenzoate
4-hydroxy-benzoicaci1-methylethylester
Benzoic acid, p-hydroxy-, isopropyl ester
p-hydroxy-benzoicaciisopropylester
p-Oxybenzoesaureisopropylester
Isopropyl4-hydroxybenzoate,98%
4-(1-Isopropoxyvinyl)phenol
ISOPROPYLPARA-HYDROXYBENZOATE
PARA-HYDROXYBENZOICACIDISO-PROPYLESTER
4-Hydroxybenzoic acid isopropyl
p-Hydroxybenzoic acid isopropyl
[EINECS(EC#)]

224-069-3
[Molecular Formula]

C10H12O3
[MDL Number]

MFCD00016468
[Molecular Weight]

180.2
[MOL File]

4191-73-5.mol
Chemical PropertiesBack Directory
[Melting point ]

84-86°C
[Boiling point ]

160 °C / 5mmHg
[density ]

1.132±0.06 g/cm3(Predicted)
[vapor pressure ]

0.155Pa at 25℃
[storage temp. ]

0-6°C
[solubility ]

Soluble in Chloroform, Ethyl Acetate.
[form ]

powder to lump
[pka]

8.40±0.15(Predicted)
[color ]

White
[Water Solubility ]

1.204g/L
[BRN ]

2641564
[Cosmetics Ingredients Functions]

PRESERVATIVE
[Cosmetic Ingredient Review (CIR)]

Isopropylparaben (4191-73-5)
[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.
[LogP]

2.316 at 25℃
[CAS DataBase Reference]

4191-73-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Isopropyl-4-hydroxybenzoate(4191-73-5)
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

An antimicrobial
[Definition]

ChEBI: Isopropylparaben is a 4-hydroxybenzoate ester.
[Synthesis]

Isopropyl alcohol

67-63-0

4-Hydroxybenzoic acid

99-96-7

Isopropylparaben

4191-73-5

GENERAL METHOD: Thionyl chloride (1.16 g, 1.5 eq.) was slowly added dropwise to a solution of p-hydroxybenzoic acid (1.0 g, 1.0 eq.) dissolved in isopropanol (15 ml) at 0 °C. The reaction mixture was heated to reflux under nitrogen protection until thin layer chromatography (TLC) monitoring showed complete consumption of p-hydroxybenzoic acid. After completion of the reaction, the solvent was removed by distillation under reduced pressure. The crude product was purified by silica gel column chromatography with the eluent being a solvent mixture of ethyl acetate/hexane to give the final isopropyl 4-hydroxybenzoate.

[References]

[1] Synthesis, 2003, # 16, p. 2479 - 2482
[2] Phosphorus, Sulfur and Silicon and the Related Elements, 2004, vol. 179, # 6, p. 1187 - 1191
[3] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 6, p. 1564 - 1569
[4] Journal of the Society of Chemical Industry, London, 1947, vol. 66, p. 175
[5] Archiv der Pharmazie (Weinheim, Germany), 1938, vol. 276, p. 154,162
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RTECS ]

DH2250000
[REACH Registrations]

Inactive
[HazardClass ]

IRRITANT
[HS Code ]

2918290090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thionyl chloride-->Sodium carbonate-->Isopropyl alcohol-->4-Hydroxybenzoic acid
[Preparation Products]

4-ISOPROPOXYBENZOIC ACID
Spectrum DetailBack Directory
[Spectrum Detail]

Isopropylparaben(4191-73-5)MS
Isopropylparaben(4191-73-5)1HNMR
Isopropylparaben(4191-73-5)13CNMR
Isopropylparaben(4191-73-5)IR1
Isopropylparaben(4191-73-5)IR2
Isopropylparaben(4191-73-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isopropyl 4-hydroxybenzoate, 98%(4191-73-5)
[Sigma Aldrich]

4191-73-5(sigmaaldrich)
[TCI AMERICA]

Isopropyl 4-Hydroxybenzoate,>99.0%(T)(4191-73-5)
4191-73-5 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TAIYUAN RHF CO.,LTD.  
Telephone: +86 351 7031519
Website: www.rhfchem.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: http://www.hwrkchemical.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Chemsky(shanghai)International Co.,Ltd.  
Telephone: 021-50135380
Website: www.shchemsky.com
Company Name: Chemsky(shanghai)International Co.,Ltd.  
Telephone: 021-50135380
Website: www.shchemsky.com
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Syntechem Co.,Ltd  
Telephone:
Website: www.syntechem.com
Company Name: Sichuan Kulinan Technology Co., Ltd  
Telephone: 400-1166-196 18981987031
Website: http://www.hx-r.com/
Company Name: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Spectrum Chemical Manufacturing Corp.  
Telephone: 021-021-021-67601398-809-809-809 15221380277
Website: www.spectrumchemical.com/oa_html/index.jsp?minisite=10020&respid=22372&language=us
Company Name: ShangHai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: Chengdu Ai Keda Chemical Technology Co., Ltd.  
Telephone: 4008-755-333 18080918076
Website: http://www.aikeshiji.com
Company Name: Shanghai civi chemical technology co.,Ltd  
Telephone: 86-21-34053660
Website: www.labgogo.com
Company Name: Beijing HuaMeiHuLiBiological Chemical   
Telephone: 010-56205725
Website: www.huabeibiochem.com
Tags:4191-73-5 Related Product Information
120-47-8 109-60-4 142-91-6 142-77-8 106-65-0 96-33-3 119-36-8 99-76-3 121-79-9 108-21-4 10497-05-9 67-63-0 989-51-5 84-36-6 131-01-1 1257-08-5 99-96-7 4191-73-5