4-Hydroxybenzoic Acid Methyl Ester(CAS 99-76-3):分子式 C8H8O3、分子量 152.15;类别 有机化学品。
| CAS号 | 99-76-3 |
|---|---|
| 分子式 | C8H8O3 |
| 分子量 | 152.15 |
| 熔点 | 125.2 °C |
| 沸点 | 270.5 °C (decomposes) |
| LogP | log Kow = 1.96 |
| 应用领域 | 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. |
| 类别 | Organic Chemicals |
登记用途: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 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 99-76-3,分子式 C8H8O3(分子量 152.15),归属于有机化学品大类化工原料。
登记 CAS 号:99-76-3
其分子式 C8H8O3 由 8 个碳、8 个氢、3 个氧 组成。
别名/同义词:4-Hydroxybenzoic Acid Methyl Ester · Methylparaben
所属分类:有机化学品
4-Hydroxybenzoic Acid Methyl Ester 的 CAS 登记号为 99-76-3。
分子式 C8H8O3,分子量 152.15。
别名/同义词:4-Hydroxybenzoic Acid Methyl Ester、Methylparaben。
登记用途: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.。
所属分类:Organic Chemicals。
4-Hydroxybenzoic Acid Methyl Ester(CAS 99-76-3)的独立参考数据,整理自公开化学数据库。
| 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.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 4-Hydroxybenzoic Acid Methyl Ester