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| CAS No.: | 94-26-8 |
|---|---|
| Name: | Benzoic acid,4-hydroxy-, butyl ester |
| Article Data: | 34 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C11H14O3 |
| Molecular Weight: | 194.23 |
| Synonyms: | Benzoicacid, p-hydroxy-, butyl ester (6CI,8CI);4-(Butoxycarbonyl)phenol;4-Hydroxybenzoic acid butyl ester;Aseptoform Butyl;Butoben;Butyl4-hydroxybenzoate;Butyl Butex;Butyl Tegosept;Butyl chemosept;Butylp-hydroxybenzoate;Butyl parabens;Butyl parasept;Mekkings B;NSC 13164;NSC 8475;Nipabutyl;Preserval B;SPF;Solbrol B;Tegosept Butyl;n-Butyl 4-hydroxybenzoate;n-Butylparaben;p-Hydroxybenzoic acid butyl ester;Butyl paraben; |
| EINECS: | 202-318-7 |
| Density: | 1.108 g/cm3 |
| Melting Point: | 67-70 °C(lit.) |
| Boiling Point: | 309.2 °C at 760 mmHg |
| Flash Point: | 129.2 °C |
| Solubility: | water: <0.1 g/100 mL at 17 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: | N/A |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| Transport Information: | N/A |
| PSA: | 46.53000 |
| LogP: | 2.34910 |
| Conditions | Yield |
|---|---|
| With sulfuric acid In toluene Esterification; Heating; | 99% |
| With [1-(3-sulfonic acid)]propyl-3-methylimidazolium hydrogen sulfate at 125 - 135℃; for 3h; | 95.3% |
| With benzimidazole bisulfate ionic liquid Reflux; | 95.3% |
n-butyl 4-(methoxymethoxy)benzoate
4-hydroxybenzoic acid, butyl ester
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In 1,2-dichloro-ethane at 40℃; | 91% |
| Conditions | Yield |
|---|---|
| With Zn4(OCOCF3)6O In di-isopropyl ether for 40h; Heating; | 76% |
di(methyl)tert-butyl(n-butoxy)silane
4-hydroxy-benzaldehyde
4-hydroxybenzoic acid, butyl ester
| Conditions | Yield |
|---|---|
| With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; Selectfluor In acetonitrile at 20℃; for 8h; Inert atmosphere; Irradiation; | 73% |
tetrachloromethane
butan-1-ol
phenol
A
4-hydroxybenzoic acid, butyl ester
B
n-butyl salicylate
| Conditions | Yield |
|---|---|
| With diiron nonacarbonyl at 130℃; for 6h; Inert atmosphere; Sealed tube; | A 62% B 38% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-hydroxy-benzaldehyde; butan-1-ol With tris(pentafluorophenyl)borate for 0.25h; Green chemistry; Stage #2: With tert.-butylhydroperoxide In decane for 36h; Green chemistry; | 61% |
carbon dioxide
tetra-n-butylammonium phenolate
A
4-hydroxybenzoic acid, butyl ester
B
4-hydroxy-benzoic acid
| Conditions | Yield |
|---|---|
| With potassium carbonate at 125℃; under 37503 Torr; for 5h; Kolbe-Shmitt reaction; | A 10 % Chromat. B 35 % Chromat. |
| Conditions | Yield |
|---|---|
| With CO; palladium-carbon |
n-Butyl chloride
1-ethyl-3-methylimidazolium 4-hydroxybenzoate
4-hydroxybenzoic acid, butyl ester
| Conditions | Yield |
|---|---|
| at 80℃; for 6h; | 68.7 %Spectr. |
| Conditions | Yield |
|---|---|
| With zirconium-based metal-organic framework at 150℃; for 72h; | 72 %Spectr. |
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Molecular Formula: C11H14O3
Molecular Weight: 194.227 g/mol
EINECS: 202-318-7
Storage temp.: 0-6 °C
Index of Refraction: 1.526
Density: 1.108 g/cm3
Flash Point: 129.2 °C
Melting point: 67-70 °C(lit.)
Appearance: White crystalline powder
Enthalpy of Vaporization: 57.19 kJ/mol
Boiling Point: 309.2 °C at 760 mmHg
Vapour Pressure: 0.000356 mmHg at 25 °C
Water Solubility: <0.1 g/100 mL at 17 °C
Structure of Butylparaben (CAS NO.94-26-8):
IUPAC Name: Butyl 4-hydroxybenzoate
Product Category of Butylparaben (CAS NO.94-26-8): Pharmaceutical Raw Materials
Butylparaben (CAS NO.94-26-8) is used as an antifungal preservative in cosmetics, and is in the form of suspension fluid to be a component of many medications.
Butylparaben (CAS NO.94-26-8) can be derived by the reaction of p-hydroxybenzoic acid and butanol with sulfuric acid as catalyst.
| 1. | skn-gpg 5%/48H MLD | JSCCA5 Journal of the Society of Cosmetic Chemists. 28 (1977),357. | ||
| 2. | orl-mus LD50:13,200 mg/kg | NEZAAQ Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. 28 (1973),463. | ||
| 3. | ipr-mus LD50:230 mg/kg | JSCCA5 Journal of the Society of Cosmetic Chemists. 28 (1977),357. |
4. RTECS DH1980000
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Risk Statements:
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements:
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
WGK Germany: 2
Butylparaben , its cas register number is 94-26-8. It also can be called p-Hydroxybenzoic acid butyl ester ; 4-(Butoxycarbonyl)phenol ; 4-Hydroxybenzoic acid butyl ester ; Butoben ; Butyl 4-hydroxybenzoate ; Butyl p-hydroxybenzoate ; Butyl parabens ; n-Butyl p-hydroxybenzoate ; n-Butylparaben ; 4-Hydroxybenzoic acid butyl ester ; and n-Butyl 4-hydroxybenzoate . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Butylparaben (CAS NO.94-26-8) is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide.
