基本情報
- CAS
126-71-6- 標準SMILES
CC(C)COP(=O)(OCC(C)C)OCC(C)C- InChIKey
HRKAMJBPFPHCSD-UHFFFAOYSA-N- 分子式
- C12H27O4P
- 平均分子量
- 266.31 g/mol
- 単同位体質量
- 266.16469634
概要
Tri-isobutylphosphate is a trialkyl phosphate.
名称と識別子
- 優先名称
- Triisobutyl phosphate
- IUPAC
- tris(2-methylpropyl) phosphate
- 現地名
- トリイソブチルホスファート
- 英語名
- Triisobutyl phosphate
- 分子式
- C12H27O4P
- 分子量
- 266.31
名称と別名
TRIISOBUTYL PHOSPHATE126-71-6Tri-isobutylphosphatePhosphoric acid, tris(2-methylpropyl) esterDTXSID8040698Phosphoric acid, triisobutyl ester6MKE1AR3GBNSC-62222DTXCID6020698RefChem:190784204-798-3Isobutyl phosphate
名称をさらに表示
りん酸トリス(2-メチルプロピル)オルトりん酸トリイソブチルりん酸トリ(イソブチル)トリイソブチルホスファートりん酸トリイソブチルトリブチル-リン酸エステルトリス(2-メチルプロピル) ホスファートPHOSPHORIC ACID TRIISOBUTYL ESTERisobutylphosphateTRIS-ISOBUTYLPHOSPHATEPhosphoricacid,tris(2-methylpropyl)esterTriisobutylphosphatTriisobutyl Phosphate (TiBP)99% purity Triisobutyl phosphate
tris(2-methylpropyl) phosphatetri-isobutyl phosphatetibpPhosphoric acid tris(2-methylpropyl) esterMFCD00039849Triisobutyl phosphate TIBPNCIOpen2_002692Isobutyl phosphate, (C4H9O)3PO
データベース識別子
- CAS
126-71-6- PubChem CID
- 31355
- DTXSID
DTXSID8040698- ChEMBL
CHEMBL1887508- ChEBI
CHEBI:189140- UNII
- 6MKE1AR3GB
- EC Number
- 204-798-3
- Nikkaji
- J184.350H
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 44.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 201
実験および物理化学的性質
Chemical Classes
Other Classes -> Organophosphates, Other
Organophosphate
CosmeticsCosmetics ingredient -> Bulking/Viscosity
SpringerMaterials PropertiesBoiling point
Flame RetardantsFlame Retardants -> Organophosphorus flame retardant (OP)
Physical Description
Liquid
Clear colorless liquid; [MSDSonline] Insoluble in water (265 mg/L at 25 deg C); [IUCLID]
Collision Cross Section
183.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8040698]
234.54 Ų [2M+H]+
物理化学的性質
- 融点
- -60 °C · <-60°C
- 沸点
- 205 °C · ~205 °C(lit.)
- 比重(密度)
- 0.965 g/mL · 0.965 g/mL at 20 °C(lit.)
- 蒸気圧
- 0.002 hPa · 0.002 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.420
- 闪点
- 150 °C · 150 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.26 g/リットル · 0.26g/リットル
- 外見
- 油
- 色
- 無色
- 水溶解度
- 264 mg/L · 264mg/L at 25℃
- InChI
- InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
- InChIKey
- HRKAMJBPFPHCSD-UHFFFAOYSA-N
- SMILES
- P(OCC(C)C)(OCC(C)C)(OCC(C)C)=O
- LogP
- 3.72 at · 3.72 at 25℃
- CAS データベース
- 126 · 126-71-6(CAS DataBase Reference)
- EPAの化学物質情報
- Triisobutyl phosphate (126-71-6)
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 0.4% (2 of 450) of reports.
Warning
H317 (90.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 450 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phosphoric acid, tris(2-methylpropyl) ester
Hazard Traits - Neurotoxicity
Phosphoric acid, tris(2-methylpropyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, tris(2-methylpropyl) 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)
REACH registered substance: Triisobutyl phosphate (EC: 204-798-3)
Phosphoric acid, tris(2-methylpropyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phosphoric acid, tris(2-methylpropyl) ester: Human health tier II assessment
Hazards SummaryA mild skin irritant; An eye irritant; May cause skin sensitization; [eChemPortal: ERMA] Danger of skin sensitization; [MAK] A moderate irritant; A potential skin sensitizer; [MSDSonline]
Hazard Classes and CategoriesSkin Sens. 1 (90.9%)
毒性情報
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC (rat) > 122 ppm/6h
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TC9300000
- 毒性
- LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- hs_code
- 2919 90 00
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- 自然発火温度
- 430 °C DIN 51794
- Hazard Classifications
- Skin Sens. 1
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
UsesUsed as an anti-foaming agent; [ChemIDplus]
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesHydraulic fluids
Industry UsesOther
Household ProductsCosmetics product ingredient: Triisobutyl phosphate (TiBP)
General Manufacturing Information
Transportation Equipment Manufacturing
Phosphoric acid, tris(2-methylpropyl) ester: ACTIVE
応用分野
説明Triisobutyl phosphate (TIBP) is a very strong polar solvent, sometimes known as Phosphoric acid triisobutyl ester. It is primarily used as an admixture for liquefying concrete, paper coating systems, and textile auxiliaries. It is mainly used as an antifoaming agent in various aqueous systems, where it can destroy foam and act as a foam inhibitor. TiBP is also used to introduce solutions for synthetic resins and natural rubber. In both ellulose-based plastics and synthetic resins, it is used as a flame-retarding plasticizer. TiBP is employed as a pasting agent for pigment pastes. Due to the limited influence of temperature on the viscosity of TiBP, it also serves as an important component in the manufacture of hydraulic fluids for aircraft. As a very strong wetting agent, TiBP is used in the textile industry and the field of adhesives.
使用Phosphoric Acid Tris(2-methylpropyl) Ester is found in the groundwater downgradient of a landfill (Grindsted, Denmark). It is also a flame retardant and plasticizer.
調製方法
純化方法Purify it by repeated crystallisation, from hexane, of its addition compound with uranyl nitrate. (see tributyl phosphate.) [Siddall J Am Chem Soc 81 4176 1959; see Cherbuliez in Organo Phosphorus Compounds (Kosolapoff & Maier eds) Wiley Vol 6 pp 211-577 1973.]
上流・下流製品情報
下流製品
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