O-乙酰柠檬酸三丁酯 (ATBC)（CAS 77-90-7）：分子式 C20H34O8、分子量 402.5。
| CAS号 | 77-90-7 |
|---|---|
| 分子式 | C20H34O8 |
| 分子量 | 402.5 |
| 熔点 | -80 °C |
| 沸点 | 331 °C at 732 mm Hg |
| LogP | 3.3 |
| 应用领域 | Uses: CIR ingredient: Acetyl Tributyl Citrate、Used as a flavoring agent and plasticizer for vinyl resins、rubber、and cellulosic resins、Also used to make resinous and polymeric coatings and paper、paperboard for use in contact with food、[HSDB]、Pulp and Paper Processing [Category: Industry]、Plasticizer for vinyl resins、Plasticizer (rubber、cellulosic resins)、... Use in the production of food-contact surfaces of resinous and polymeric coatings and in paper、paperboard for use in contact with fatty foods.、...、the most widely used phtahalate substitute plasticizer、widely used in products such as food wrap、vinyl toys、and pharmaceutical excipients ...、For more Uses (Complete) data for ACETYL TRIBUTYL CITRATE (8 total)、please visit the HSDB record page.、Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Plastics -> Plasticisers、Plastics -> Polymer Type -> PUR、PVC (soft)、Cosmetics -> Plasticiser、Film forming、Industry Uses: Intermediate、Processing aids not otherwise specified、Coalescing agent、Plasticizer、Fragrance、Not Known or Reasonably Ascertainable、Other、Consumer Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 23 consumer products that contain Acetyl tributyl citrate in the following categories is provided:、• Inside the Home、• Personal Care、• Pesticides、Methods of Manufacturing: From citric acid via the tributyl ester followed by acetylation.、Formulations、Preparations: Grade: Technical、U.S. Production: 2023: 5、500、000 - <7、000、000 lb、2022: 8、000 - <10、2021: 8、2020: 7、000 - <8、(1976) GREATER THAN 2X10+6 GRAMS、1、2、3-Propanetricarboxylic acid、2-(acetyloxy)-、tributyl ester is listed as a High Production Volume (HPV) chemical (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).、Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1、3-tributyl ester. National Production Volume: 4、669、244 lb、yr.、General Manufacturing Information: Food、beverage、and tobacco product manufacturing、Plastics Product Manufacturing、Synthetic Rubber Manufacturing、Miscellaneous Manufacturing、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Paint and Coating Manufacturing、Plastics Material and Resin Manufacturing、Construction、Custom Compounding of Purchased Resins、All Other Chemical Product and Preparation Manufacturing、Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、3-tributyl ester: ACTIVE |
登记用途：Uses: CIR ingredient: Acetyl Tributyl Citrate、Used as a flavoring agent and plasticizer for vinyl resins、rubber、and cellulosic resins、Also used to make resinous and polymeric coatings and paper、paperboard for use in contact with food、[HSDB]、Pulp and Paper Processing [Category: Industry]、Plasticizer for vinyl resins、Plasticizer (rubber、cellulosic resins)、... Use in the production of food-contact surfaces of resinous and polymeric coatings and in paper、paperboard for use in contact with fatty foods.、...、the most widely used phtahalate substitute plasticizer、widely used in products such as food wrap、vinyl toys、and pharmaceutical excipients ...、For more Uses (Complete) data for ACETYL TRIBUTYL CITRATE (8 total)、please visit the HSDB record page.、Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Plastics -> Plasticisers、Plastics -> Polymer Type -> PUR、PVC (soft)、Cosmetics -> Plasticiser、Film forming、Industry Uses: Intermediate、Processing aids not otherwise specified、Coalescing agent、Plasticizer、Fragrance、Not Known or Reasonably Ascertainable、Other、Consumer Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 23 consumer products that contain Acetyl tributyl citrate in the following categories is provided:、• Inside the Home、• Personal Care、• Pesticides、Methods of Manufacturing: From citric acid via the tributyl ester followed by acetylation.、Formulations、Preparations: Grade: Technical、U.S. Production: 2023: 5、500、000 - <7、000、000 lb、2022: 8、000 - <10、2021: 8、2020: 7、000 - <8、(1976) GREATER THAN 2X10+6 GRAMS、1、2、3-Propanetricarboxylic acid、2-(acetyloxy)-、tributyl ester is listed as a High Production Volume (HPV) chemical (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).、Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1、3-tributyl ester. National Production Volume: 4、669、244 lb、yr.、General Manufacturing Information: Food、beverage、and tobacco product manufacturing、Plastics Product Manufacturing、Synthetic Rubber Manufacturing、Miscellaneous Manufacturing、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Paint and Coating Manufacturing、Plastics Material and Resin Manufacturing、Construction、Custom Compounding of Purchased Resins、All Other Chemical Product and Preparation Manufacturing、Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、3-tributyl ester: ACTIVE。
O-乙酰柠檬酸三丁酯 (ATBC) 是一种化工化合物，登记 CAS 号为 77-90-7，分子式 C20H34O8（分子量 402.5）。
登记 CAS 号：77-90-7
其分子式 C20H34O8 由 20 个碳、34 个氢、8 个氧 组成。
别名/同义词：O-乙酰柠檬酸三丁酯 (ATBC) · Acetyl Tributyl Citrate · tributyl O-acetylcitrate (ATBC)
O-乙酰柠檬酸三丁酯 (ATBC) 的 CAS 登记号为 77-90-7。
分子式 C20H34O8，分子量 402.5。
别名/同义词：O-乙酰柠檬酸三丁酯 (ATBC)、Acetyl Tributyl Citrate、tributyl O-acetylcitrate (ATBC)。
登记用途：Uses: CIR ingredient: Acetyl Tributyl Citrate、Used as a flavoring agent and plasticizer for vinyl resins、rubber、and cellulosic resins、Also used to make resinous and polymeric coatings and paper、paperboard for use in contact with food、[HSDB]、Pulp and Paper Processing [Category: Industry]、Plasticizer for vinyl resins、Plasticizer (rubber、cellulosic resins)、... Use in the production of food-contact surfaces of resinous and polymeric coatings and in paper、paperboard for use in contact with fatty foods.、...、the most widely used phtahalate substitute plasticizer、widely used in products such as food wrap、vinyl toys、and pharmaceutical excipients ...、For more Uses (Complete) data for ACETYL TRIBUTYL CITRATE (8 total)、please visit the HSDB record page.、Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Plastics -> Plasticisers、Plastics -> Polymer Type -> PUR、PVC (soft)、Cosmetics -> Plasticiser、Film forming、Industry Uses: Intermediate、Processing aids not otherwise specified、Coalescing agent、Plasticizer、Fragrance、Not Known or Reasonably Ascertainable、Other、Consumer Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 23 consumer products that contain Acetyl tributyl citrate in the following categories is provided:、• Inside the Home、• Personal Care、• Pesticides、Methods of Manufacturing: From citric acid via the tributyl ester followed by acetylation.、Formulations、Preparations: Grade: Technical、U.S. Production: 2023: 5、500、000 - <7、000、000 lb、2022: 8、000 - <10、2021: 8、2020: 7、000 - <8、(1976) GREATER THAN 2X10+6 GRAMS、1、2、3-Propanetricarboxylic acid、2-(acetyloxy)-、tributyl ester is listed as a High Production Volume (HPV) chemical (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).、Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1、3-tributyl ester. National Production Volume: 4、669、244 lb、yr.、General Manufacturing Information: Food、beverage、and tobacco product manufacturing、Plastics Product Manufacturing、Synthetic Rubber Manufacturing、Miscellaneous Manufacturing、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Paint and Coating Manufacturing、Plastics Material and Resin Manufacturing、Construction、Custom Compounding of Purchased Resins、All Other Chemical Product and Preparation Manufacturing、Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、3-tributyl ester: ACTIVE。
O-乙酰柠檬酸三丁酯 (ATBC)（CAS 77-90-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 77-90-7 |
|---|---|
| PubChem CID | 6505 |
| Molecular formula | C20H34O8 |
| IUPAC name | tributyl 2-acetyloxypropane-1,2,3-tricarboxylate |
| UNII (FDA) | 0ZBX0N59RZ |
| FEMA number | 3080 |
| JECFA number | 630 |
| Molecular Weight | 402.5 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 19 |
| Exact Mass | 402.22536804 |
| Monoisotopic Mass | 402.22536804 |
| Topological Polar Surface Area | 105 |
| Heavy Atom Count | 28 |
| Boiling Point | 331 °C at 732 mm Hg |
|---|---|
| Boiling Point | 172.00 to 173.00 °C. @ 1.00 mm Hg |
| Boiling Point | 172-174 °C (1 mm Hg) |
| Melting Point | -80 °C |
| Flash Point | 204 °C |
| Flash Point | 113 °C - closed cup |
| Solubility | In water, 4.49 mg/L at 20 °C |
| Solubility | In water, 1.7 mg/L at 25 °C |
| Solubility | 0.005 mg/mL |
| Density | 1.046 at 25 °C |
ACETYL TRIBUTYL CITRATE; 77-90-7; tributyl 2-acetoxypropane-1,2,3-tricarboxylate; Acetyltributyl citrate; Tributyl acetylcitrate; Citroflex A; Blo-trol; Citroflex A 4; Tributyl citrate acetate; ATBC; 2-Acetyltributylcitrate; Tributyl acetyl citrate; FEMA No. 3080; Acetylcitric acid, tributyl ester; Citric acid, tributyl ester, acetate; DTXSID2026446
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral |
|---|---|
| GHS notification summary | 98.6% (2150 / 2180) |
| GHS notification summary | 98.6% (2150 / 2180) |
|---|
This chemical does not meet GHS hazard criteria for 98.6% (2150 of 2180) of all reports.
Reported as not meeting GHS hazard criteria by 2150 of 2180 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
tributyl O-acetylcitrate (ATBC) · CAS 77-90-7 · C20H34O8. UNII 0ZBX0N59RZ. Boiling Point: 331 °C at 732 mm Hg; Boiling Point: 172.00 to 173.00 °C. @ 1.00 mm Hg; Boiling Point: 172-174 °C (1 mm Hg).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Acetyl Tributyl Citrate