くえん酸トリブチル
Tributyl Citrate
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基本情報
- CAS
77-94-1- 標準SMILES
CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC- InChIKey
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N- 分子式
- C18H32O7
- 平均分子量
- 360.4 g/mol
- 単同位体質量
- 360.21480336
概要
Tributyl citrate is a carbonyl compound.
名称と識別子
- 優先名称
- Tributyl Citrate
- IUPAC
- tributyl 2-hydroxypropane-1,2,3-tricarboxylate
- 現地名
- くえん酸トリブチル
- 英語名
- Tributyl citrate
- 分子式
- C18H32O7
- 分子量
- 360.44
名称と別名
TRIBUTYL CITRATE77-94-1Butyl citratetributyl 2-hydroxypropane-1,2,3-tricarboxylateTri-n-butyl citrateCitroflex 4Citric acid, tributyl ester1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl esterCitric Acid Tributyl EsterMorflex tbcCitroflex c 4NSC-8491
名称をさらに表示
くえん酸トリブチルくえん酸トリ-n-ブチル2-ヒドロキシ-1,2,3-プロパントリカルボン酸トリブチルシトロフレックス4くえん酸n-ブチルブチルシトラートトリブチルシトレートクエン酸ブチルくえん酸トリ‐N‐ブチルシトロフレックス4 STANDARDくえん酸トリ-n-ブチル, 99%シトロフレックス4 Standard, 1000 µg/mL in Hexane3-(ブトキシカルボニル)-3-ヒドロキシペンタン二酸ジブチル1,2,3-トリブチル 2-ヒドロキシプロパン-1,2,3-トリカルボキシラートnsc8491citroflex4Citroflex 4CTributylcitratN-BUTYLCITRATEtributyl ester
2-Hydroxy-1,2,3-propanetricarboxylic acid, tributyl esterDTXSID5051442827D5B1B6S1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester201-071-2tributyl citric acidRefChem:190909DTXCID0030039
データベース識別子
- CAS
77-94-1- PubChem CID
- 6507
- DTXSID
DTXSID5051442- ChEMBL
CHEMBL2107619- ChEBI
CHEBI:176825- UNII
- 827D5B1B6S
- EC Number
- 201-071-2
- Nikkaji
- J4.216A
物性
構造計算による物性補完中
- XLogP
- 2.7
- 極性表面積
- 99.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 17
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 382
実験および物理化学的性質
Chemical ClassesOther Classes -> Esters, Other
Polymers
Plastics -> Plasticisers
Plastics -> PUR; PVC (soft)
Cosmetics
Cosmetic ingredients (Tributyl Citrate) -> CIR (Cosmetic Ingredient Review)
Film forming; Solvent; Plasticiser
Plasticizers
Plasticizer
Plasticizer
Density1.05 @25 °C
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Colorless or light yellow odorless liquid; [Merck Index]
Collision Cross Section202.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5051442]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 68.4% (255 of 373) of all reports.
Danger
H318 (27.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 373 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 03-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5956
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
No adverse effects observed in 6-8-week oral study of rats at doses up to 20,000 mg/kg/day; [ToxPlanet: EC: CSTEE] Causes somnolence and vascular changes in intraperitoneal lethal-dose studies of mice (LD50 = 2,900 mg/kg); [RTECS] May cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesEye Dam. 1 (27.9%)
安全と保護具
Protective Action Criteria (PAC)
0.88 [ppm]
9.7 [ppm]
化学と産業
用途と製造
Uses
CIR ingredient: Tributyl Citrate
Used in polishes, inks, and nitrocellulose lacquers (plasticizer and solvent) and as an anti-foam agent; [Merck Index]
Painting (Solvents) [Category: Paint]
Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
Household ProductsInformation on 41 consumer products that contain Tributyl citrate in the following categories is provided:
Use Classification
Plastics -> Plasticisers
Plastics -> Polymer Type -> PUR; PVC (soft)
Cosmetics -> Film forming; Solvent; Plasticiser
General Manufacturing Information
Paint and Coating Manufacturing
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester: ACTIVE
応用分野
使用Tributyl Citrate, is a non-phthalate plasticizer, that can be used for the preparation of resins. It can also used for the synthesis of Acetyl Tributyl Cirate, a valuable biodegradable plasticizer of low toxicity, found in nail polish and other cosmetics.
一般的な説明Tributyl citrate is an ester of citric acid. It is used to plasticize polymers for coating solid drug dosage forms, tablets and capsules.Certified pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to pharmacopeia primary standards.
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