4-Hydroxybenzoic Acid Methyl Ester (CAS 99-76-3) — formula C8H8O3, molecular weight 152.15; category organic chemicals.
| CAS Number | 99-76-3 |
|---|---|
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.15 |
| Melting Point | 125.2 °C |
| Boiling Point | 270.5 °C (decomposes) |
| LogP | log Kow = 1.96 |
| Applications | Uses: CIR ingredient: Methylparaben, Used as a preservative in foods, cosmetics, and medicines, [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], For methylparaben (USEPA, OPP Pesticide Code: 061201) 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#2968], As preservative in foods, beverages and cosmetics., For more Uses (Complete) data for METHYLPARABEN (7 total), please visit the HSDB record page., Methylparaben is found in alcoholic beverages., Use Classification: Food additives, Fragrance Ingredients, Food Additives -> PRESERVATIVE -> JECFA Functional Classes, Cosmetics -> Preservative, Industry Uses: Not Known or Reasonably Ascertainable, Consumer Uses: Pigment, Laboratory chemicals, Not Known or Reasonably Ascertainable, Household Products: Cosmetics product ingredient: Methylparaben (Methyl p-Hydroxybenzoate), Parabens are used as preservatives in many personal care products, and in some medications and foods. They are also used as antimicrobials in some paper products, like baby wipes., Reason for Listing: Listed as a Priority Chemical by the California Environmental Contaminant Biomonitoring Program., Potential Health Impacts: Endocrine Toxicity and Reproductive Toxicity, Product count: 1210, Information on 857 consumer products that contain Methylparaben in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by the methanol esterification of p-hydroxybenzoic acid in the presence of sulfuric acid. The materials are heated for distillation in a glass-lined reactor under reflux. The acid is then neutralized with caustic soda and the product is crystallized by cooling. The crystallized product is centrifuged, washed, dried under vacuum, milled and blended, all in corrosion-resistant equipment to avoid metallic contamination., It is produced by the methanol esterification of p-hydroxybenzoic acid in the presence of sulfuric acid, with subsequent distillation., Parabens are prepared by esterifying PHBA, parahydroxybenzoic acid, with the corresponding alcohol in the presence of an acid catalyst, such as sulfuric acid, and an excess of the specific alcohol. The acid is then neutralized with caustic soda, and the product is crystallized by cooling, centrifuged, milled, and blended., Parabens, Formulations, Preparations: Grade: United States Pharmacopeia, FCC, Food Chemical Codex, Trade Names: Abiol, Aseptoform, Maseptol, Metaben, Methaben, Methyl butex, Methyl chemosept, Methyl parasept, Methylben, Metoxyde, Moldex, Nipagin, Nipagin M, Paridol, Preserval, Septos, Solbrol, Solbrol M, and Tegosept M., Consumption Patterns: ESSENTIALLY 100% AS AN ANTIMICROBIAL AGENT IN FOODS & COSMETICS (1976), U.S. Production: 2023: 100, 000 - <250, 000 lb, 2022: 250, 000 - <400, 2021: 400, 000 - <550, 2020: 550, 000 - <700, (1972) 4.17X10+8 GRAMS, (1975) 2.21X10+8 GRAMS, This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2966], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzoic acid, 4-hydroxy-, methyl ester. National Production Volume: Withheld., General Manufacturing Information: Not Known or Reasonably Ascertainable, Benzoic acid, methyl ester: ACTIVE, The parabens are most active against molds and yeasts. They are less effective against bacteria, especially gram-negative bacteria. |
| Category | Organic Chemicals |
Documented applications: Uses: CIR ingredient: Methylparaben, Used as a preservative in foods, cosmetics, and medicines, [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], For methylparaben (USEPA, OPP Pesticide Code: 061201) 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#2968], As preservative in foods, beverages and cosmetics., For more Uses (Complete) data for METHYLPARABEN (7 total), please visit the HSDB record page., Methylparaben is found in alcoholic beverages., Use Classification: Food additives, Fragrance Ingredients, Food Additives -> PRESERVATIVE -> JECFA Functional Classes, Cosmetics -> Preservative, Industry Uses: Not Known or Reasonably Ascertainable, Consumer Uses: Pigment, Laboratory chemicals, Not Known or Reasonably Ascertainable, Household Products: Cosmetics product ingredient: Methylparaben (Methyl p-Hydroxybenzoate), Parabens are used as preservatives in many personal care products, and in some medications and foods. They are also used as antimicrobials in some paper products, like baby wipes., Reason for Listing: Listed as a Priority Chemical by the California Environmental Contaminant Biomonitoring Program., Potential Health Impacts: Endocrine Toxicity and Reproductive Toxicity, Product count: 1210, Information on 857 consumer products that contain Methylparaben in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by the methanol esterification of p-hydroxybenzoic acid in the presence of sulfuric acid. The materials are heated for distillation in a glass-lined reactor under reflux. The acid is then neutralized with caustic soda and the product is crystallized by cooling. The crystallized product is centrifuged, washed, dried under vacuum, milled and blended, all in corrosion-resistant equipment to avoid metallic contamination., It is produced by the methanol esterification of p-hydroxybenzoic acid in the presence of sulfuric acid, with subsequent distillation., Parabens are prepared by esterifying PHBA, parahydroxybenzoic acid, with the corresponding alcohol in the presence of an acid catalyst, such as sulfuric acid, and an excess of the specific alcohol. The acid is then neutralized with caustic soda, and the product is crystallized by cooling, centrifuged, milled, and blended., Parabens, Formulations, Preparations: Grade: United States Pharmacopeia, FCC, Food Chemical Codex, Trade Names: Abiol, Aseptoform, Maseptol, Metaben, Methaben, Methyl butex, Methyl chemosept, Methyl parasept, Methylben, Metoxyde, Moldex, Nipagin, Nipagin M, Paridol, Preserval, Septos, Solbrol, Solbrol M, and Tegosept M., Consumption Patterns: ESSENTIALLY 100% AS AN ANTIMICROBIAL AGENT IN FOODS & COSMETICS (1976), U.S. Production: 2023: 100, 000 - <250, 000 lb, 2022: 250, 000 - <400, 2021: 400, 000 - <550, 2020: 550, 000 - <700, (1972) 4.17X10+8 GRAMS, (1975) 2.21X10+8 GRAMS, This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2966], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzoic acid, 4-hydroxy-, methyl ester. National Production Volume: Withheld., General Manufacturing Information: Not Known or Reasonably Ascertainable, Benzoic acid, methyl ester: ACTIVE, The parabens are most active against molds and yeasts. They are less effective against bacteria, especially gram-negative bacteria..
4-Hydroxybenzoic Acid Methyl Ester is a carbon-based organic compound with CAS registry number 99-76-3 and molecular formula C8H8O3 (molecular weight 152.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 99-76-3
Its molecular formula C8H8O3 comprises 8 C, 8 H, 3 O atoms.
Also known as: 4-Hydroxybenzoic Acid Methyl Ester · Methylparaben
Category: organic chemicals
The CAS registry number of 4-Hydroxybenzoic Acid Methyl Ester is 99-76-3.
Molecular formula C8H8O3, molecular weight 152.15.
It is also registered under: 4-Hydroxybenzoic Acid Methyl Ester, Methylparaben.
Recorded applications: Uses: CIR ingredient: Methylparaben, Used as a preservative in foods, cosmetics, and medicines, [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], For methylparaben (USEPA, OPP Pesticide Code: 061201) 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#2968], As preservative in foods, beverages and cosmetics., For more Uses (Complete) data for METHYLPARABEN (7 total), please visit the HSDB record page., Methylparaben is found in alcoholic beverages., Use Classification: Food additives, Fragrance Ingredients, Food Additives -> PRESERVATIVE -> JECFA Functional Classes, Cosmetics -> Preservative, Industry Uses: Not Known or Reasonably Ascertainable, Consumer Uses: Pigment, Laboratory chemicals, Not Known or Reasonably Ascertainable, Household Products: Cosmetics product ingredient: Methylparaben (Methyl p-Hydroxybenzoate), Parabens are used as preservatives in many personal care products, and in some medications and foods. They are also used as antimicrobials in some paper products, like baby wipes., Reason for Listing: Listed as a Priority Chemical by the California Environmental Contaminant Biomonitoring Program., Potential Health Impacts: Endocrine Toxicity and Reproductive Toxicity, Product count: 1210, Information on 857 consumer products that contain Methylparaben in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by the methanol esterification of p-hydroxybenzoic acid in the presence of sulfuric acid. The materials are heated for distillation in a glass-lined reactor under reflux. The acid is then neutralized with caustic soda and the product is crystallized by cooling. The crystallized product is centrifuged, washed, dried under vacuum, milled and blended, all in corrosion-resistant equipment to avoid metallic contamination., It is produced by the methanol esterification of p-hydroxybenzoic acid in the presence of sulfuric acid, with subsequent distillation., Parabens are prepared by esterifying PHBA, parahydroxybenzoic acid, with the corresponding alcohol in the presence of an acid catalyst, such as sulfuric acid, and an excess of the specific alcohol. The acid is then neutralized with caustic soda, and the product is crystallized by cooling, centrifuged, milled, and blended., Parabens, Formulations, Preparations: Grade: United States Pharmacopeia, FCC, Food Chemical Codex, Trade Names: Abiol, Aseptoform, Maseptol, Metaben, Methaben, Methyl butex, Methyl chemosept, Methyl parasept, Methylben, Metoxyde, Moldex, Nipagin, Nipagin M, Paridol, Preserval, Septos, Solbrol, Solbrol M, and Tegosept M., Consumption Patterns: ESSENTIALLY 100% AS AN ANTIMICROBIAL AGENT IN FOODS & COSMETICS (1976), U.S. Production: 2023: 100, 000 - <250, 000 lb, 2022: 250, 000 - <400, 2021: 400, 000 - <550, 2020: 550, 000 - <700, (1972) 4.17X10+8 GRAMS, (1975) 2.21X10+8 GRAMS, This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2966], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzoic acid, 4-hydroxy-, methyl ester. National Production Volume: Withheld., General Manufacturing Information: Not Known or Reasonably Ascertainable, Benzoic acid, methyl ester: ACTIVE, The parabens are most active against molds and yeasts. They are less effective against bacteria, especially gram-negative bacteria..
Category: Organic Chemicals.
Independent reference data for 4-Hydroxybenzoic Acid Methyl Ester (CAS 99-76-3), compiled from public chemistry databases.
| CAS 号 | 99-76-3 |
|---|---|
| PubChem CID | 7456 |
| 分子式 | C8H8O3 |
| 分子量 | 152.05 g/mol |
| IUPAC 名称 | methyl 4-hydroxybenzoate |
| InChIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| UNII（FDA） | A2I8C7HI9T |
| ChEBI 编号 | CHEBI:31835 |
| FEMA 编号 | 2710 |
| Molecular Weight | 152.15 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.047344113 |
| Monoisotopic Mass | 152.047344113 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 11 |
| Boiling Point | 270.5 °C (decomposes) |
|---|---|
| Boiling Point | 275.00 °C. @ 760.00 mm Hg |
| Melting Point | 125.2 °C |
| Melting Point | 131 °C |
| Solubility | In water, 2.50X10+3 mg/L at 25 °C |
| Solubility | 2.5 mg/mL at 25 °C |
| Vapor Pressure | 0.000237 [mmHg] |
| LogP | log Kow = 1.96 |
| LogP | 1.96 |
| LogP | 1.91 |
Methyl 4-hydroxybenzoate; METHYLPARABEN; 99-76-3; Methyl paraben; Methyl p-hydroxybenzoate; Nipagin; Tegosept M; Moldex; Maseptol; Methyl parahydroxybenzoate; p-Hydroxybenzoic acid methyl ester; Preserval M; Preserval; Metaben; Methaben; Metoxyde
| 法规与食品接触 | FDA Substance added to food: ANTIMICROBIAL AGENT, FLAVORING AGENT OR ADJUVANT PRESERVATIVE: Food Additives JECFA ADI: 0-10 mg/kg bw ADI 组为对羟基苯甲酸乙酯和甲酯的总和。鉴于不利影响我 NMRS 53/TRS 539-JECFA 17/17 FAS 5/NMRS 53A-JECFA 17/81 |
|---|---|
| GHS 通报统计 | 31.5% (1035 / 3282) |
| GHS 通报统计 | 31.5% (1035 / 3282) |
|---|---|
| 已通报的危害声明 | H315 (53.8%), H319 (53.7%), H335 (50.5%), H336, H402, H411, H412 |
尼泊金甲酯 的 CAS 号为 99-76-3，分子式 C8H8O3，分子量 152.05 g/mol。 UNII A2I8C7HI9T; ChEBI 31835; InChIKey LXCFILQKKLGQFO-UHFFFAOYSA-N. Boiling Point: 270.5 °C (decomposes); Boiling Point: 275.00 °C. @ 760.00 mm Hg; Melting Point: 125.2 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.