기본 정보
- CAS
126-71-6- 표준 SMILES
CC(C)COP(=O)(OCC(C)C)OCC(C)C- InChIKey
HRKAMJBPFPHCSD-UHFFFAOYSA-N- 분자식
- C12H27O4P
- 평균 분자량
- 266.31 g/mol
- 단동위원소 질량
- 266.16469634
개요
Tri-isobutylphosphate is a trialkyl phosphate.
이름 및 식별자
- 우선 이름
- Triisobutyl phosphate
- IUPAC
- tris(2-methylpropyl) phosphate
- 영어명
- Triisobutyl phosphate
- 분자식
- C12H27O4P
- 분자량
- 266.31
이름 및 동의어
TRIISOBUTYL PHOSPHATE126-71-6Tri-isobutylphosphatePhosphoric acid, tris(2-methylpropyl) esterDTXSID8040698Phosphoric acid, triisobutyl ester6MKE1AR3GBNSC-62222DTXCID6020698RefChem:190784204-798-3Isobutyl phosphate
이름 더 보기
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
데이터베이스 식별자
- CAS
126-71-6- PubChem CID
- 31355
- DTXSID
DTXSID8040698- ChEMBL
CHEMBL1887508- ChEBI
CHEBI:189140- UNII
- 6MKE1AR3GB
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 201
실험 및 물리화학적 성질
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]+
물리화학적 성질
- 녹는점
- -60 °C · <-60°C
- 끓는 점
- 205 °C · ~205 °C(lit.)
- 밀도
- 0.965 g/mL · 0.965 g/mL at 20 °C(lit.)
- 증기압
- 0.002 hPa · 0.002 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.420
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
Adverse Effects
화학 및 산업
용도 및 제조
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
응용 분야
개요Triisobutyl 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.
용도Phosphoric Acid Tris(2-methylpropyl) Ester is found in the groundwater downgradient of a landfill (Grindsted, Denmark). It is also a flame retardant and plasticizer.
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