n-Butyl 4-hydroxybenzoate (CAS 94-26-8) — formula C11H14O3, molecular weight 194.23; category organic chemicals.
Documented applications: Uses: CIR ingredient: Butylparaben, Used as an antifungal agent, preservative in antiseptic creams, food preservative, and pharyngeal antiseptic, [HSDB] The parabens (methyl, ethyl, propyl, and butyl) were the most widely used preservatives in cosmetics (0.1% to 0.8%) until their sensitizing potential was recognized, [Marks, p. 115], Cancelled-- no longer contained in any registered pesticide products for use in the US, [HSDB], Farming (Pesticides) [Category: Industry], For butylparaben (USEPA, OPP Pesticide Code: 061205) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#984], Pharmaceutic aid (antifungal). Preservative in foods., For more Uses (Complete) data for BUTYLPARABEN (6 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENTFood Additives -> PRESERVATIVE -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Preservative, Household Products: Cosmetics product ingredient: Butylparaben (butyl 4-hydroxybenzoate), Reason for Listing:, - Identified under the California Environmental Contaminant Biomonitoring Program, - Included in the European Union candidate list of Substances of Very High Concern in accordance with Article 59 of Regulation (EC) 1907, 2006 on the basis of Article 57(f) for endocrine disrupting properties, Potential Health Impacts: Endocrine Toxicity and Reproductive Toxicity, Product count: 42, Information on 80 consumer products that contain Butylparaben in the following categories is provided:, • Personal Care, Methods of Manufacturing: Butylparaben is prepared by esterifying p-hydroxybenzoic acid with butyl alcohol in the presence of an acid catalyst, such as sulfuric acid, and an excess of the specific alcohol., Parabens are prepared by esterifying PHBA, parahydroxybenzoic acid, with the corresponding alcohol in the presence of an acid catalyst, and an excess of the specific alcohol. The acid is then neutralized with caustic soda, and the product is crystallized by cooling, centrifuged, washed, dried under vacuum, milled, and blended., Parabens, Formulations, Preparations: Calcium and magnesium salts are available., Trade Names: Butoben, Butyl butex, Butyl chemosept, Butyl parasept, Butyl tegosept, Nipabutyl, Preserval B, Solbrol B, SPF, Tegosept B, and Tegosept butyl., Consumption Patterns:, ALMOST, 100%, PROBABLY, AS A PRESERVATIVE FOR PHARMACEUTICALS (1976), U.S. Production: (1972) 1.0X10+7 G (SALES), Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#982], U.S. Imports: (1972) 2.6X10+6 G (PRINCPL CUSTMS DISTS), (1975) 9.54X10+5 G (PRINCPL CUSTMS DISTS), General Manufacturing Information: Benzoic acid, 4-hydroxy-, butyl ester: ACTIVE, Butylparaben appears to be best antifungicidal agent among the parabens., The parabens are most active against molds and yeasts. They are less effective against bacteria, especially gram-negative bacteria..
n-Butyl 4-hydroxybenzoate is a carbon-based organic compound with CAS registry number 94-26-8 and molecular formula C11H14O3 (molecular weight 194.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94-26-8
Its molecular formula C11H14O3 comprises 11 C, 14 H, 3 O atoms.
Also known as: n-Butyl 4-hydroxybenzoate · Butylparaben · 4-Hydroxybenzoic Acid Butyl Ester
Category: organic chemicals
The CAS registry number of n-Butyl 4-hydroxybenzoate is 94-26-8.
Molecular formula C11H14O3, molecular weight 194.23.
It is also registered under: n-Butyl 4-hydroxybenzoate, Butylparaben, 4-Hydroxybenzoic Acid Butyl Ester.
Recorded applications: Uses: CIR ingredient: Butylparaben, Used as an antifungal agent, preservative in antiseptic creams, food preservative, and pharyngeal antiseptic, [HSDB] The parabens (methyl, ethyl, propyl, and butyl) were the most widely used preservatives in cosmetics (0.1% to 0.8%) until their sensitizing potential was recognized, [Marks, p. 115], Cancelled-- no longer contained in any registered pesticide products for use in the US, [HSDB], Farming (Pesticides) [Category: Industry], For butylparaben (USEPA, OPP Pesticide Code: 061205) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#984], Pharmaceutic aid (antifungal). Preservative in foods., For more Uses (Complete) data for BUTYLPARABEN (6 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENTFood Additives -> PRESERVATIVE -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Preservative, Household Products: Cosmetics product ingredient: Butylparaben (butyl 4-hydroxybenzoate), Reason for Listing:, - Identified under the California Environmental Contaminant Biomonitoring Program, - Included in the European Union candidate list of Substances of Very High Concern in accordance with Article 59 of Regulation (EC) 1907, 2006 on the basis of Article 57(f) for endocrine disrupting properties, Potential Health Impacts: Endocrine Toxicity and Reproductive Toxicity, Product count: 42, Information on 80 consumer products that contain Butylparaben in the following categories is provided:, • Personal Care, Methods of Manufacturing: Butylparaben is prepared by esterifying p-hydroxybenzoic acid with butyl alcohol in the presence of an acid catalyst, such as sulfuric acid, and an excess of the specific alcohol., Parabens are prepared by esterifying PHBA, parahydroxybenzoic acid, with the corresponding alcohol in the presence of an acid catalyst, and an excess of the specific alcohol. The acid is then neutralized with caustic soda, and the product is crystallized by cooling, centrifuged, washed, dried under vacuum, milled, and blended., Parabens, Formulations, Preparations: Calcium and magnesium salts are available., Trade Names: Butoben, Butyl butex, Butyl chemosept, Butyl parasept, Butyl tegosept, Nipabutyl, Preserval B, Solbrol B, SPF, Tegosept B, and Tegosept butyl., Consumption Patterns:, ALMOST, 100%, PROBABLY, AS A PRESERVATIVE FOR PHARMACEUTICALS (1976), U.S. Production: (1972) 1.0X10+7 G (SALES), Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#982], U.S. Imports: (1972) 2.6X10+6 G (PRINCPL CUSTMS DISTS), (1975) 9.54X10+5 G (PRINCPL CUSTMS DISTS), General Manufacturing Information: Benzoic acid, 4-hydroxy-, butyl ester: ACTIVE, Butylparaben appears to be best antifungicidal agent among the parabens., The parabens are most active against molds and yeasts. They are less effective against bacteria, especially gram-negative bacteria..
Category: Organic Chemicals.
Public-database records for n-Butyl 4-hydroxybenzoate (CAS 94-26-8), reproduced here for independent cross-checking.
| GHS notification summary | 35.6% (479 / 1344) |
|---|---|
| Reported hazard statements | H315 (60.4%), H318 (21.6%), H319 (41.6%), H335 (39.7%), H412 (18.2%) |
This chemical does not meet GHS hazard criteria for 35.6% (479 of 1344) of reports.
H315 (60.4%): Causes skin irritation [Warning Skin corrosion/irritation]
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENTFood Additives -> PRESERVATIVE: Flavouring Agent Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent TRS 913-JECFA 59/112 FAS 48-JECFA 57/273 (2001) |
|---|---|
| GHS notification summary | 35.6% (479 / 1344) |
| 沸点 | 156.00 to 157.00 °C. @ 3.50 mm Hg |
|---|---|
| 沸点 | 156-157 °C (3.5 mm Hg) |
| 熔点 | 154 to 156 °F (NTP, 1992) |
| 熔点 | 68.5 °C |
| 熔点 | 68 - 69 °C |
| 闪点 | 181 °C |
| 溶解度 | In water, 2.07X10+2 mg/L at 20 °C |
| 溶解度 | 0.207 mg/mL at 20 °C |
| 蒸气压 | 0.000186 [mmHg] |
| LogP | log Kow = 3.57 |
| CAS Registry Number | 94-26-8 |
|---|---|
| PubChem CID | 7184 |
| 分子式 | C11H14O3 |
| IUPAC 名称 | butyl 4-hydroxybenzoate |
| UNII（FDA） | 3QPI1U3FV8 |
| FEMA 编号 | 2203 |
| JECFA 编号 | 870 |
BUTYLPARABEN; Butyl 4-hydroxybenzoate; 94-26-8; Butyl paraben; Butyl p-hydroxybenzoate; Butoben; Nipabutyl; Butyl chemosept; Butyl parasept; Tegosept B; Butyl tegosept; Butyl butex; Aseptoform butyl; Solbrol B; Butyl parahydroxybenzoate; n-Butyl p-hydroxybenzoate
| 分子量 | 194.23 |
|---|---|
| XLogP3 | 3.6 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 5 |
| 精确质量 | 194.094294304 |
| 单同位素质量 | 194.094294304 |
| 拓扑极性表面积 | 46.5 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
4-Hydroxybenzoic Acid Butyl Ester · CAS 94-26-8 · C11H14O3. UNII 3QPI1U3FV8. 沸点: 156.00 to 157.00 °C. @ 3.50 mm Hg; 沸点: 156-157 °C (3.5 mm Hg); 熔点: 154 to 156 °F (NTP, 1992).
Source: PubChem / Wikidata; the batch COA governs where values differ.
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