트리옥틸 인산염

인산트리스(2-에틸헥실)에스터 · 트리스(2-에틸헥실)인산염 · 트리옥틸인산염 · TOP · TRIOCTYL PHOSPHATE · TRIS(2-ETHYLHEXYL) PHOSPHATE · TEHP · TRI(2-

식별자 및 물리적 특성

CAS No.	78-42-2
분자식	C24H51O4P
평균 분자량	434.6 g/mol
단동위원소 질량	434.35249674 g/mol
SMILES	CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChIKey	GTVWRXDRKAHEAD-UHFFFAOYSA-N
PubChem CID	6537
ChEMBL	CHEMBL1562290
ChEBI	CHEBI:181994
EC No.	201-116-6
DTXSID	DTXSID0021414
현지명	트리옥틸 인산염

화학 및 물리적 성질

XLogP	8.9
극성 표면적	44.8
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	21
무거운 원자 수	29
형식 전하	0
복잡도	345
물질 분류	Organophosphate
LogP(분배 계수)	4.23
밀도	0.9262 at 68 °F (NTP, 1992) - Less dense than waterwill floatRelative density (water = 1): 0.930.9077 @25 °C0.92 g/mL at 20 °C(lit.)
Flame Retardants	Flame Retardants -> Organophosphorus flame retardant (OP)
용해도	less than 1 mg/mL at 64 °F (NTP, 1992)Solubility in water at 20 °C: none<0.001g/L
인화점	305 °F (NTP, 1992)170 °C>230 °F
끓는 점	374 to 451 °F at 760 mmHg (decomposes) (NTP, 1992)at 0.7kPa: 220 °C226.9 °C @760 [mm Hg]215 °C4 mm Hg(lit.)
녹는점	-94 °F (NTP, 1992)-74 °C-70°C
증기 밀도	14.95 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 15
증기압	1.9 mmHg at 392 °F (NTP, 1992)Vapor pressure, Pa at 20 °C:0.03 [mm Hg] @20 °C2.1 mm Hg ( 20 °C)
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	Tris(2-ethylhexyl)phosphate is a clear colorless to pale yellow liquid with a slight sharp odor. (NTP, 1992)Other SolidCOLOURLESS VISCOUS LIQUID.
굴절률	n20/D 1.444(lit.)
저장 조건	Store below +30°C.
물리적 상태	액체
비중	0.93
색상	무색
pH	7 (H2O, 20℃)
용해도	18°C에서 <0.1g/100mL
BRN	1715839
헨리 상수	1.2×102 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKey	GTVWRXDRKAHEAD-UHFFFAOYSA-N
SMILES	CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
NIST	2-Ethylhexanol phosphate (3:1)(78-42-2)
EPA	Tris(2-ethylhexyl) phosphate (78-42-2)
ECETOC JACC REPORT	Tris(2-ethylhexyl) phosphate (78-42-2)

화학적 성질

Tris(2-ethylhexyl) phosphate, a clear, viscous liquid, is used as a component of vinyl stabilizers, grease additives, and flame-proofing compositions; however, it is used primarily as a plasticizer for vinyl plastic and synthetic rubber compounds. Tris(2-ethylhexyl) phosphate has been employed as a specialty flameretardant plasticizer for vinyl compositions where low temperature flexibility is critical, eg, in military tarpaulins. It can be included in blends with general purpose plasticizers such as phthalate esters to improve low temperature flexibility.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 52.7% (260 of 493) of all reports.WarningH315 (42%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 493 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Phosphoric acid, tris(2-ethylhexyl) esterPhosphoric acid, tris(2-ethylhexyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, tris(2-ethylhexyl) 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: Tris(2-ethylhexyl) phosphate (EC: 201-116-6)Tris (2-ethylhexyl) phosphate: Does not have an individual approval but may be used under an appropriate group standard
화재 위험	This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin and eyes. Skin contact may cause discomfort, itching, reddening and swelling of the skin. Eye contact may cause discomfort, redness, tearing and swelling. Other symptoms may include difficult breathing and pulmonary edema.
반응성 그룹	Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile	TRIS(2-ETHYLHEXYL)PHOSPHATE is incompatible with oxidizing materials. It may soften or deteriorate certain plastics and elastomers. It is incompatible with cellulose acetate and cellulose acetate butyrate. (NTP, 1992)
Chemical Dangers	Decomposes on heating. This produces toxic fumes of phosphine and phosphorus oxides. Reacts with oxidants.
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Skin Irrit. 2 (42%)

용도

Solvent, antifoaming agent, plasticizer.

일반 설명

Clear colorless to pale yellow liquid with a slight sharp odor. Insoluble in water; Soluble in alcohol, acetone, and ether. Combustible.