くえん酸トリブチル

Tributyl Citrate

HCID 6507CAS 77-94-1
部分構造検索類似構造を探す

基本情報

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

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

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other
Polymers · 2 件

Plastics -> Plasticisers

Plastics -> PUR; PVC (soft)

Cosmetics · 2 件

Cosmetic ingredients (Tributyl Citrate) -> CIR (Cosmetic Ingredient Review)

Film forming; Solvent; Plasticiser

Plasticizers · 2 件

Plasticizer

Plasticizer

Density1.05 @25 °C
Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点
300 °C · ≥300 °C(lit.)
沸点
234 °C · 234 °C (17 mmHg)
比重(密度)
1.043 g/mL · 1.043 g/mL at 20 °C (lit.)
Pour Point
-62 · -62
屈折率
20 · n20/D 1.445
闪点
300 °C · 300 °C

化学的性質

化学的特性Tributyl citrate is a clear, odorless, practically colorless, oily liquid.

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 4 件

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 · 1 件

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) · 3 件

0.88 [ppm]

9.7 [ppm]

43 [ppm]

毒性情報

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

安全データ

wgk
3
tsca
TSCA listed
rtecs
TZ8608000
ridadr
UN 2811 6.1/PG 2
hs_code
29181500
risk_code
25

化学と産業

用途と製造

Uses · 4 件

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 · 3 件

Plastics -> Plasticisers

Plastics -> Polymer Type -> PUR; PVC (soft)

Cosmetics -> Film forming; Solvent; Plasticiser

応用分野 · 2 件

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.

調製方法

Tributyl citrate is prepared by the esterification of citric acid with butanol.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南新晨化工有限公司15318808971 15318808971
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義本品は、クエン酸(*)とブタノール(*)とのトリエステルであり、次の化学式で表される。参照表示名称：クエン酸, ブタノール

関連反応

5 件
反応記録を作成

関連ノート

読み込み中…