3-叔丁基-4-羟基苯甲醚（CAS 121-00-6）：分子式 C11H16O2、分子量 180.24。
| CAS号 | 121-00-6 |
|---|---|
| 分子式 | C11H16O2 |
| 分子量 | 180.24 |
| 熔点 | 118 to 131 °F (NTP, 1992) |
| 沸点 | 507 to 518 °F at 733 mmHg (NTP, 1992) |
| LogP | 3.2 |
| 应用领域 | Uses: CIR ingredient: Butylated Hydroxyanisole、Used as a food and cosmetic preservative、[Kanerva、p. 1758] Used as an antioxidant in many foods since 1947、Also used in cosmetics such as lipstick and eye shadow、[IARC]、Using Disinfectants or Biocides [Category: Clean]、Used as a food additive (oxidation inhibitor)、[HSDB] Used as preservative in foods、cosmetics、topical medications、animal feeds、rubber、plastics、pints、and glues、[Marks、p. 139]、Farming (Feed Additives) [Category: Industry]、COMPONENT OF BHA (A COMMONLY USED FOOD ADDITIVE)、This material is an oxidation inhibitor and has been accepted for use in foods where the use of butylated hydroxytoluene (BHT) is restricted、BHA、BHA is particularly useful in protecting the flavors and color of essential oils and is considered the most effective of all food-approved antioxidants for this application. BHA is particularly effective in controlling the oxidation of short-chain fatty acids、such as those found in coconut and palm kernel oils that are used typically in cereal and confectionary products.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#4664]、Commercial stabilizers (antioxidants) for food fortification or animal feeds.、BHA is one of the primary antioxidants used in feeds、because it retards the oxidation of vitamin A、fats、and vegetable oils. It is an effective stabilizer for essential oils、paraffin、and polyethylenes.、For more Uses (Complete) data for Butylated hydroxyanisole (6 total)、please visit the HSDB record page.、Use Classification: Food additives、Fragrance Ingredients、Food Additives -> ANTIOXIDANT -> JECFA Functional Classes、Cosmetics -> Antioxidant、Industry Uses: Antioxidant、Consumer Uses: Antioxidant、Household Products: Cosmetics product ingredient: Butylated hydroxyanisole (BHA)、Also known as: (1、1-dimethylethyl)-4-methoxyphenol、Source: Butylated hydroxyanisole is a synthetic chemical added to cosmetics as an antioxidant and preservative. It helps to keep oils from becoming rancid. It is often added to lipsticks and eye shadows.、People may be exposed to BHA through skin absorption、breathing it in、or ingesting it、depending on the specific product. Studies on rats and mice given butylated hydroxyanisole in their food showed an increase in benign and malignant tumors of the stomach. The International Agency for Research on Cancer (IARC) has classified this compound as a possible human carcinogen. California Proposition 65 lists BHA as a carcinogen.、Product count: 2003、Information on 58 consumer products that contain Butylated hydroxyanisole (BHA) in the following categories is provided:、• Commercial、Institutional、• Personal Care、• Pet Care、Methods of Manufacturing: Alkylation of 4-hydroxyanisole with isobutylene which yields the mixture of 2- and 3-tert-butyl isomers used as product、Methylation of hydroquinone yields an intermediate that gives a mixture of 3-BHA and 2-BHA upon treatment with tert-butyl alcohol and phosphoric acid. Butylation of hydroquinone and subsequent methylation with dimethyl sulfate and sodium hydroxide can also be used to produce a mixture of the two BHA isomers. In addition、BHA can be synthesized by the tert-butylation of 4-methoxyphenol over silica or alumina at 150 °C.、It is manufactured by the alkylation of 4-hydroxyanisole with isobutylene that yields a mixture of 2- and 3-tert-butyl isomers as products.、Butylated hydroxyanisole is prepared from 4-methoxyphenol and tert-butyl alcohol over silica or alumina at 150 °C or from hydroquinone and tert-butyl alcohol or isobutene、using an acid catalyst and then methylating.、Impurities: Arsenic、less than 3 ppm、heavy metal (as lead)、less than 10 ppm、residual on ignition、less than 0.01%、Arsenic、4-Hydroxyanisole、max 0.5%、1-tert-butyl-2、5-dimethoxybenzene、2、5-Di-tert-butyl-hydroxyanisole、max 0.2%、hydroquinone dimethyl ether、max 0.1%、sulfated ash、max 0.01%、lead (as Pb)、max 20 ppm、arsenic (as As) max 3 ppm、Formulations、Preparations: THE COMMERCIAL PREPN、OF BHA、SOLD UNDER NAME OF TENOX BHA (EASTMAN CHEM INC) CONTAINS ABOUT 85% OF ... 3-TERT-BUTYL-4-HYDROXYANISOLE & 15% OF ...、2-TERT-BUTYL-4-HYDROXYANISOLE、.、Food Grade、98.5+%.、Chemically、BHA is a mixture of two isomers、3-tert-butyl-4-hydroxyanisole (90%) and 2-tert-butyl-4-hydroxyanisole (10%).、Commercial preparation sold under name of Tenox BHA (Eastman Chem Inc) contains about 85% of、3-tert-butyl-4-hydroxyanisole、& 15% of ...、2-tert-butyl-4-hydroxyanisole、FCC、Food Chemical Codex、water soluble.、Food grade、98+%、For more Formulations、Preparations (Complete) data for Butylated hydroxyanisole (6 total)、Consumption Patterns: The estimated US consumption of BHA in food increased to 660、000 lb、yr during 1970-1982、up from 374 lb、yr in 1960. ... Reported annual consumption for BHA in the mid-1970s was 990、000 lb compared with 3.1 million lb for butylated hydroxytoluene (BHT) ... .、U.S. Production: 2023: <50、2022: <50、2021: <50、2020: <50、(1986) No Data、Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Phenol、(1、1-dimethylethyl)-4-methoxy-. National Production Volume: Withheld.、U.S. Imports: (1986) No Data、U.S. Exports: (1986) No Data、General Manufacturing Information: Rubber Product Manufacturing、All other Petroleum and Coal Products Manufacturing、Phenol、2-(1、1-dimethylethyl)-4-methoxy-: ACTIVE、Commercially available BHA is generally an 85:15 mixture of the 3-t-butyl- and 2-t-butyl-isomer.、BHA and BHT (butylated hydroxytoluene) are monohydric |
登记用途：Uses: CIR ingredient: Butylated Hydroxyanisole、Used as a food and cosmetic preservative、[Kanerva、p. 1758] Used as an antioxidant in many foods since 1947、Also used in cosmetics such as lipstick and eye shadow、[IARC]、Using Disinfectants or Biocides [Category: Clean]、Used as a food additive (oxidation inhibitor)、[HSDB] Used as preservative in foods、cosmetics、topical medications、animal feeds、rubber、plastics、pints、and glues、[Marks、p. 139]、Farming (Feed Additives) [Category: Industry]、COMPONENT OF BHA (A COMMONLY USED FOOD ADDITIVE)、This material is an oxidation inhibitor and has been accepted for use in foods where the use of butylated hydroxytoluene (BHT) is restricted、BHA、BHA is particularly useful in protecting the flavors and color of essential oils and is considered the most effective of all food-approved antioxidants for this application. BHA is particularly effective in controlling the oxidation of short-chain fatty acids、such as those found in coconut and palm kernel oils that are used typically in cereal and confectionary products.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#4664]、Commercial stabilizers (antioxidants) for food fortification or animal feeds.、BHA is one of the primary antioxidants used in feeds、because it retards the oxidation of vitamin A、fats、and vegetable oils. It is an effective stabilizer for essential oils、paraffin、and polyethylenes.、For more Uses (Complete) data for Butylated hydroxyanisole (6 total)、please visit the HSDB record page.、Use Classification: Food additives、Fragrance Ingredients、Food Additives -> ANTIOXIDANT -> JECFA Functional Classes、Cosmetics -> Antioxidant、Industry Uses: Antioxidant、Consumer Uses: Antioxidant、Household Products: Cosmetics product ingredient: Butylated hydroxyanisole (BHA)、Also known as: (1、1-dimethylethyl)-4-methoxyphenol、Source: Butylated hydroxyanisole is a synthetic chemical added to cosmetics as an antioxidant and preservative. It helps to keep oils from becoming rancid. It is often added to lipsticks and eye shadows.、People may be exposed to BHA through skin absorption、breathing it in、or ingesting it、depending on the specific product. Studies on rats and mice given butylated hydroxyanisole in their food showed an increase in benign and malignant tumors of the stomach. The International Agency for Research on Cancer (IARC) has classified this compound as a possible human carcinogen. California Proposition 65 lists BHA as a carcinogen.、Product count: 2003、Information on 58 consumer products that contain Butylated hydroxyanisole (BHA) in the following categories is provided:、• Commercial、Institutional、• Personal Care、• Pet Care、Methods of Manufacturing: Alkylation of 4-hydroxyanisole with isobutylene which yields the mixture of 2- and 3-tert-butyl isomers used as product、Methylation of hydroquinone yields an intermediate that gives a mixture of 3-BHA and 2-BHA upon treatment with tert-butyl alcohol and phosphoric acid. Butylation of hydroquinone and subsequent methylation with dimethyl sulfate and sodium hydroxide can also be used to produce a mixture of the two BHA isomers. In addition、BHA can be synthesized by the tert-butylation of 4-methoxyphenol over silica or alumina at 150 °C.、It is manufactured by the alkylation of 4-hydroxyanisole with isobutylene that yields a mixture of 2- and 3-tert-butyl isomers as products.、Butylated hydroxyanisole is prepared from 4-methoxyphenol and tert-butyl alcohol over silica or alumina at 150 °C or from hydroquinone and tert-butyl alcohol or isobutene、using an acid catalyst and then methylating.、Impurities: Arsenic、less than 3 ppm、heavy metal (as lead)、less than 10 ppm、residual on ignition、less than 0.01%、Arsenic、4-Hydroxyanisole、max 0.5%、1-tert-butyl-2、5-dimethoxybenzene、2、5-Di-tert-butyl-hydroxyanisole、max 0.2%、hydroquinone dimethyl ether、max 0.1%、sulfated ash、max 0.01%、lead (as Pb)、max 20 ppm、arsenic (as As) max 3 ppm、Formulations、Preparations: THE COMMERCIAL PREPN、OF BHA、SOLD UNDER NAME OF TENOX BHA (EASTMAN CHEM INC) CONTAINS ABOUT 85% OF ... 3-TERT-BUTYL-4-HYDROXYANISOLE & 15% OF ...、2-TERT-BUTYL-4-HYDROXYANISOLE、.、Food Grade、98.5+%.、Chemically、BHA is a mixture of two isomers、3-tert-butyl-4-hydroxyanisole (90%) and 2-tert-butyl-4-hydroxyanisole (10%).、Commercial preparation sold under name of Tenox BHA (Eastman Chem Inc) contains about 85% of、3-tert-butyl-4-hydroxyanisole、& 15% of ...、2-tert-butyl-4-hydroxyanisole、FCC、Food Chemical Codex、water soluble.、Food grade、98+%、For more Formulations、Preparations (Complete) data for Butylated hydroxyanisole (6 total)、Consumption Patterns: The estimated US consumption of BHA in food increased to 660、000 lb、yr during 1970-1982、up from 374 lb、yr in 1960. ... Reported annual consumption for BHA in the mid-1970s was 990、000 lb compared with 3.1 million lb for butylated hydroxytoluene (BHT) ... .、U.S. Production: 2023: <50、2022: <50、2021: <50、2020: <50、(1986) No Data、Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Phenol、(1、1-dimethylethyl)-4-methoxy-. National Production Volume: Withheld.、U.S. Imports: (1986) No Data、U.S. Exports: (1986) No Data、General Manufacturing Information: Rubber Product Manufacturing、All other Petroleum and Coal Products Manufacturing、Phenol、2-(1、1-dimethylethyl)-4-methoxy-: ACTIVE、Commercially available BHA is generally an 85:15 mixture of the 3-t-butyl- and 2-t-butyl-isomer.、BHA and BHT (butylated hydroxytoluene) are monohydric。
3-叔丁基-4-羟基苯甲醚 是一种化工化合物，登记 CAS 号为 121-00-6，分子式 C11H16O2（分子量 180.24）。
登记 CAS 号：121-00-6
其分子式 C11H16O2 由 11 个碳、16 个氢、2 个氧 组成。
别名/同义词：3-叔丁基-4-羟基苯甲醚 · 3-tert-butyl-4-hydroxyanisole
3-叔丁基-4-羟基苯甲醚 的 CAS 登记号为 121-00-6。
分子式 C11H16O2，分子量 180.24。
别名/同义词：3-叔丁基-4-羟基苯甲醚、3-tert-butyl-4-hydroxyanisole。
登记用途：Uses: CIR ingredient: Butylated Hydroxyanisole、Used as a food and cosmetic preservative、[Kanerva、p. 1758] Used as an antioxidant in many foods since 1947、Also used in cosmetics such as lipstick and eye shadow、[IARC]、Using Disinfectants or Biocides [Category: Clean]、Used as a food additive (oxidation inhibitor)、[HSDB] Used as preservative in foods、cosmetics、topical medications、animal feeds、rubber、plastics、pints、and glues、[Marks、p. 139]、Farming (Feed Additives) [Category: Industry]、COMPONENT OF BHA (A COMMONLY USED FOOD ADDITIVE)、This material is an oxidation inhibitor and has been accepted for use in foods where the use of butylated hydroxytoluene (BHT) is restricted、BHA、BHA is particularly useful in protecting the flavors and color of essential oils and is considered the most effective of all food-approved antioxidants for this application. BHA is particularly effective in controlling the oxidation of short-chain fatty acids、such as those found in coconut and palm kernel oils that are used typically in cereal and confectionary products.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#4664]、Commercial stabilizers (antioxidants) for food fortification or animal feeds.、BHA is one of the primary antioxidants used in feeds、because it retards the oxidation of vitamin A、fats、and vegetable oils. It is an effective stabilizer for essential oils、paraffin、and polyethylenes.、For more Uses (Complete) data for Butylated hydroxyanisole (6 total)、please visit the HSDB record page.、Use Classification: Food additives、Fragrance Ingredients、Food Additives -> ANTIOXIDANT -> JECFA Functional Classes、Cosmetics -> Antioxidant、Industry Uses: Antioxidant、Consumer Uses: Antioxidant、Household Products: Cosmetics product ingredient: Butylated hydroxyanisole (BHA)、Also known as: (1、1-dimethylethyl)-4-methoxyphenol、Source: Butylated hydroxyanisole is a synthetic chemical added to cosmetics as an antioxidant and preservative. It helps to keep oils from becoming rancid. It is often added to lipsticks and eye shadows.、People may be exposed to BHA through skin absorption、breathing it in、or ingesting it、depending on the specific product. Studies on rats and mice given butylated hydroxyanisole in their food showed an increase in benign and malignant tumors of the stomach. The International Agency for Research on Cancer (IARC) has classified this compound as a possible human carcinogen. California Proposition 65 lists BHA as a carcinogen.、Product count: 2003、Information on 58 consumer products that contain Butylated hydroxyanisole (BHA) in the following categories is provided:、• Commercial、Institutional、• Personal Care、• Pet Care、Methods of Manufacturing: Alkylation of 4-hydroxyanisole with isobutylene which yields the mixture of 2- and 3-tert-butyl isomers used as product、Methylation of hydroquinone yields an intermediate that gives a mixture of 3-BHA and 2-BHA upon treatment with tert-butyl alcohol and phosphoric acid. Butylation of hydroquinone and subsequent methylation with dimethyl sulfate and sodium hydroxide can also be used to produce a mixture of the two BHA isomers. In addition、BHA can be synthesized by the tert-butylation of 4-methoxyphenol over silica or alumina at 150 °C.、It is manufactured by the alkylation of 4-hydroxyanisole with isobutylene that yields a mixture of 2- and 3-tert-butyl isomers as products.、Butylated hydroxyanisole is prepared from 4-methoxyphenol and tert-butyl alcohol over silica or alumina at 150 °C or from hydroquinone and tert-butyl alcohol or isobutene、using an acid catalyst and then methylating.、Impurities: Arsenic、less than 3 ppm、heavy metal (as lead)、less than 10 ppm、residual on ignition、less than 0.01%、Arsenic、4-Hydroxyanisole、max 0.5%、1-tert-butyl-2、5-dimethoxybenzene、2、5-Di-tert-butyl-hydroxyanisole、max 0.2%、hydroquinone dimethyl ether、max 0.1%、sulfated ash、max 0.01%、lead (as Pb)、max 20 ppm、arsenic (as As) max 3 ppm、Formulations、Preparations: THE COMMERCIAL PREPN、OF BHA、SOLD UNDER NAME OF TENOX BHA (EASTMAN CHEM INC) CONTAINS ABOUT 85% OF ... 3-TERT-BUTYL-4-HYDROXYANISOLE & 15% OF ...、2-TERT-BUTYL-4-HYDROXYANISOLE、.、Food Grade、98.5+%.、Chemically、BHA is a mixture of two isomers、3-tert-butyl-4-hydroxyanisole (90%) and 2-tert-butyl-4-hydroxyanisole (10%).、Commercial preparation sold under name of Tenox BHA (Eastman Chem Inc) contains about 85% of、3-tert-butyl-4-hydroxyanisole、& 15% of ...、2-tert-butyl-4-hydroxyanisole、FCC、Food Chemical Codex、water soluble.、Food grade、98+%、For more Formulations、Preparations (Complete) data for Butylated hydroxyanisole (6 total)、Consumption Patterns: The estimated US consumption of BHA in food increased to 660、000 lb、yr during 1970-1982、up from 374 lb、yr in 1960. ... Reported annual consumption for BHA in the mid-1970s was 990、000 lb compared with 3.1 million lb for butylated hydroxytoluene (BHT) ... .、U.S. Production: 2023: <50、2022: <50、2021: <50、2020: <50、(1986) No Data、Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Phenol、(1、1-dimethylethyl)-4-methoxy-. National Production Volume: Withheld.、U.S. Imports: (1986) No Data、U.S. Exports: (1986) No Data、General Manufacturing Information: Rubber Product Manufacturing、All other Petroleum and Coal Products Manufacturing、Phenol、2-(1、1-dimethylethyl)-4-methoxy-: ACTIVE、Commercially available BHA is generally an 85:15 mixture of the 3-t-butyl- and 2-t-butyl-isomer.、BHA and BHT (butylated hydroxytoluene) are monohydric。
3-叔丁基-4-羟基苯甲醚（CAS 121-00-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 121-00-6 |
|---|---|
| PubChem CID | 8456 |
| Molecular formula | C11H16O2 |
| IUPAC name | 2-tert-butyl-4-methoxyphenol |
| UNII (FDA) | 62RAC24292 |
| FEMA number | 2183 |
| Molecular Weight | 180.24 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 180.115029749 |
| Monoisotopic Mass | 180.115029749 |
| Topological Polar Surface Area | 29.5 |
| Heavy Atom Count | 13 |
| Boiling Point | 507 to 518 °F at 733 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 268 °C |
| Melting Point | 118 to 131 °F (NTP, 1992) |
| Melting Point | 51 °C |
| Flash Point | 313 °F (NTP, 1992) |
| Flash Point | 156 °C |
| Flash Point | 113 °C (235 °F) - closed cup |
| Solubility | 1% in glycerine at 100 °C |
| Vapor Pressure | 0.00248 [mmHg] |
| Formulations/Preparations | Food Grade, 98.5+%. |
25013-16-5; tert-Butyl-4-hydroxyanisole; Phenol, (1,1-dimethylethyl)-4-methoxy-; 2(3)-tert-Butyl-4-hydroxyanisole; Antrancine 12; Nipantiox 1-F; Tenox BHA; Butylohydroksyanizol; Butyl hydroxyanisole; BOA (antioxidant); Sustane 1-F; EEC No. E320; Premerge plus; Phenol, tert-butyl-4-methoxy-; DTXSID7020215; Nipantiox 1F
| Regulatory & Food Contact | FDA Substance added to food: ANTIMICROBIAL AGENT, ANTIOXIDANT, DOUGH STRENGTHENER, FLAVOR ENHANCER, FLOUR TRE FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS ANTIOXIDANT: Food Additives ANTIMICROBIAL AGENT, ANTIOXIDANT, DOUGH STRENGTHENER, FLAVOR ENHANCER, FLOUR TREATING AGENT, OXIDIZING OR REDU BHA JECFA ADI: 0-0.5 mg/kg bw |
|---|---|
| GHS notification summary | 5.5% (47 / 847) |
| GHS notification summary | 5.5% (47 / 847) |
|---|---|
| Reported hazard statements | H302 (34%), H315 (52.5%), H319 (76.2%), H335 (19.8%), H351 (68.9%), H361 (18.3%), H411 (42%), H317 |
This chemical does not meet GHS hazard criteria for 5.5% (47 of 847) of reports.
H302 (34%): Harmful if swallowed [Warning Acute toxicity, oral]
3-tert-butyl-4-hydroxyanisole · CAS 121-00-6 · C11H16O2. UNII 62RAC24292. Boiling Point: 507 to 518 °F at 733 mmHg (NTP, 1992); Boiling Point: 268 °C; Melting Point: 118 to 131 °F (NTP, 1992).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-tert-butyl-4-hydroxyanisole