Diisooctyl phthalate

Di-6-methyl-1-heptyl phthalate · 1,2-Benzenedicarboxylic acid, 1,2-bis(6-methylheptyl) ester

https://huagongshe.com/ko/chemical/33934

식별자 및 물리적 특성

CAS No.	131-20-4
분자식	C24H38O4
평균 분자량	390.6 g/mol
단동위원소 질량	390.27700969 g/mol
SMILES	CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C
InChIKey	IJFPVINAQGWBRJ-UHFFFAOYSA-N
PubChem CID	33934
ChEMBL	CHEMBL3186540
ChEBI	CHEBI:34710
EC No.	248-523-5
DTXSID	DTXSID50873226

화학 및 물리적 성질

XLogP	8.5
극성 표면적	52.6
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	16
무거운 원자 수	28
형식 전하	0
복잡도	390
LogP(분배 계수)	3-4 (estimated)
냄새	Mild odor
밀도	0.980-0.983 at 20 °C/20 °CBulk density: Wt/gal = 8.20 lb at 20 °CRelative density (water = 1): 0.990.983±0.06 g/cm3(Predicted)
Viscosity	83 cP at 20 °C
Color/Form	Nearly colorless, viscous liquid
용해도	... compatible with vinyl chloride resins and some cellulosic resinsIn water, 9.0X10-2 mg/L at 25 °CSolubility in water: noneDMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
인화점	450 °F (USCG, 1999)232 °C /(method not specified)/450 °F (232 °C) (Closed cup)227 °C c.c.
끓는 점	1288 °F at 760 mmHg (USCG, 1999)370 °C384.9±10.0 °C(Predicted)
Decomposition	When heated to decomp it emits acrid smoke and irritating fumes.
녹는점	-4 °C /From Table/-45 °C
증기 밀도	13.5 (Air = 1)Relative vapor density (air = 1): 13.5
증기압	0.0000055 [mmHg]5.5X10-6 mm Hg at 25 °CVapor pressure at 20 °C: negligible
저장 조건	Sealed in dry,Room Temperature
물리적 상태	액체
색상	무색

안전 및 규제

GHS 분류	DangerH360FD: May damage fertilityMay damage the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.8% (1 of 124) of reports.
규제 정보	Chemical: 1,2-Benzenedicarboxylic acid, diisooctyl esterHazard Traits - Reproductive ToxicityAuthoritative List - EC Annex VI CMRs - Cat. 1BReport - if used as a fragrance or flavor ingredientRegulation (EC) No 178/2002 (amended)1,2-Benzenedicarboxylic acid, 1,2-diisooctyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1,2-diisooctyl 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)Diisooctyl phthalate: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Phthalate esters: Environment tier II assessment
화재 위험	Special Hazards of Combustion Products: None (USCG, 1999)Combustible.
건강 유해성	Produces no ill effects at normal temperatures but may give off irritating vapor at high temperature. (USCG, 1999)
유해성 요약	There is confusion in the naming of the dioctyl phthalate esters: Di-n-octyl phthalate, Di-sec-octyl phthalate, and Diisooctyl phthalate. [CHEMINFO] Female mice fed >190 mg/kg/bw have weight loss and show increased resorptions, fetal malformations, and late fetal deathsMice fed 426 mg/kg/day show increased liver weight as well as reproductive effectsOral LD50 (mouse) >26,000 mg/kgDioctyl phthalate may cause CNS depression and mild liver toxicity after ingestion of large amounts[HSDB] No listed effects of short-term or long-term exposure[ICSC] May cause irritation and liver damage[MSDSonline] See PHTHALATE ESTERS.
FDA 요건	Diisooctyl phthalate is an indirect food additive for use only as a component of adhesives.