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4-羟基苯甲酸甲酯

CAS 99-76-3C8H8O3MW 152.15

4-羟基苯甲酸甲酯(CAS 99-76-3):分子式 C8H8O3、分子量 152.15。

产品概览

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)
LogPlog 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.

应用领域

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.。

技术档案

这个产品是什么

4-羟基苯甲酸甲酯 是一种化工化合物,登记 CAS 号为 99-76-3,分子式 C8H8O3(分子量 152.15)。

识别信息

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-羟基苯甲酸甲酯 · Methylparaben · 4-Hydroxybenzoic Acid Methyl Ester

常见问题

4-羟基苯甲酸甲酯 的 CAS 号是多少?

4-羟基苯甲酸甲酯 的 CAS 登记号为 99-76-3。

4-羟基苯甲酸甲酯 的分子式与分子量是多少?

分子式 C8H8O3,分子量 152.15。

4-羟基苯甲酸甲酯 还有哪些别名?

别名/同义词:4-羟基苯甲酸甲酯、Methylparaben、4-Hydroxybenzoic Acid Methyl Ester。

4-羟基苯甲酸甲酯 的登记用途是什么?

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.。

PubChem 公开数据

4-羟基苯甲酸甲酯(CAS 99-76-3)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS 号99-76-3
PubChem CID7456
分子式C8H8O3
分子量152.05 g/mol
IUPAC 名称methyl 4-hydroxybenzoate
InChIKeyLXCFILQKKLGQFO-UHFFFAOYSA-N
UNII(FDA)A2I8C7HI9T
ChEBI 编号CHEBI:31835
FEMA 编号2710

计算分子描述符

Molecular Weight152.15
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5
Heavy Atom Count11

在册的理化数值

Boiling Point270.5 °C (decomposes)
Boiling Point275.00 °C. @ 760.00 mm Hg
Melting Point125.2 °C
Melting Point131 °C
SolubilityIn water, 2.50X10+3 mg/L at 25 °C
Solubility2.5 mg/mL at 25 °C
Vapor Pressure0.000237 [mmHg]
LogPlog Kow = 1.96
LogP1.96
LogP1.91

同义词与商品名

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

已收录的法规名录

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 危害分类

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

公开数据库对它的描述

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。

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