Diisooctyl phthalate

HCID 33934CAS 131-20-4

기본 정보

표준 SMILES
CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C
InChIKey
IJFPVINAQGWBRJ-UHFFFAOYSA-N
분자식
C24H38O4
평균 분자량
390.6 g/mol
단동위원소 질량
390.27700969

이름 및 식별자

우선 이름
Diisooctyl phthalate
IUPAC
bis(6-methylheptyl) benzene-1,2-dicarboxylate
영어명
Bis(6-methylheptyl) Phthalate
분자식
C24H38O4
분자량
390.56

이름 및 동의어

Diisooctyl phthalate27554-26-3Isooctyl phthalateDiopbis(6-methylheptyl) benzene-1,2-dicarboxylateDi-iso-octyl phthalateHexaplas M/OCorflex 880Phthalic acid, diisooctyl esterFlexol Plasticizer DIOPDiisooctyl 1,2-benzenedicarboxylate1,2-Benzenedicarboxylic acid, diisooctyl ester
이름 더 보기
Di-6-methyl-1-heptyl phthalate1,2-Benzenedicarboxylic acid, 1,2-bis(6-methylheptyl) ester
Phthalic acid, bis(6-methylheptyl)esterAI3-27697-X (USDA)HEXAPLAS DIOPJAYFLEX DIOP6A121LGB40UNEM 5005NSC-6381Diisooctylphthalate

데이터베이스 식별자

CAS
131-20-4、27554-26-3、71097-28-4
PubChem CID
33934
DTXSID
DTXSID50873226
ChEMBL
CHEMBL3186540
ChEBI
CHEBI:34710
UNII
6A121LGB40
EC Number
248-523-5
Nikkaji
J60.496H

물성

구조 계산 물성

XLogP
8.5
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
16
무거운 원자 수
28

실험 및 물리화학적 성질

LogP3-4 (estimated)
OdorMild odor
Density · 3건

0.980-0.983 at 20 °C/20 °C

Bulk density: Wt/gal = 8.20 lb at 20 °C

Relative density (water = 1): 0.99

Viscosity83 cP at 20 °C
Color/FormNearly colorless, viscous liquid
Solubility · 3건

... compatible with vinyl chloride resins and some cellulosic resins

In water, 9.0X10-2 mg/L at 25 °C

Solubility in water: none

물리화학적 성질

끓는 점
384.9 · 384.9±10.0 °C(Predicted)
밀도
0.983 · 0.983±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태
액체
색상
무색

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H360FD: May damage fertility; May 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.

유해성 정보

Regulatory Information · 5건

Chemical: 1,2-Benzenedicarboxylic acid, diisooctyl ester

Hazard Traits - Reproductive Toxicity;Authoritative List - EC Annex VI CMRs - Cat. 1B;Report - if used as a fragrance or flavor ingredient

Regulation (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

Other Safety InformationIMAP assessments - Phthalate esters: Environment tier II assessment
Fire Hazards · 2건

Special Hazards of Combustion Products: None (USCG, 1999)

Combustible.

Health HazardsProduces no ill effects at normal temperatures but may give off irritating vapor at high temperature. (USCG, 1999)
Hazards Summary · 1건

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 deaths; Mice fed 426 mg/kg/day show increased liver weight as well as reproductive effects; Oral LD50 (mouse) >26,000 mg/kg; Dioctyl 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 Requirements · 2건

Diisooctyl phthalate is an indirect food additive for use only as a component of adhesives.

Diisooctyl phthalate is classified as a plasticizer when migrating from food-packaging material (for foods of high water content only).

안전 및 보호

Fire Fighting · 2건

Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothing;Fire Extinguishing Agents: Dry chemical, carbon dioxide. (USCG, 1999)

Use water spray, foam, powder, carbon dioxide.

First Aid Measures · 4건

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

First AidLeave contaminated area; wash skin with soap and water; flush eyes with water. (USCG, 1999)
Safe StorageSeparated from strong oxidants.
Fire Fighting ProceduresWater or foam may cause frothing.
Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

독성 정보

Health Effects · 1건

Phthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called 'phthalate syndrome’. (A2883)

Ecotoxicity Values · 5건

EC50; Species: Pseudokirchneriella subcapitata (Green algae); Conditions: freshwater, static, 22-24 °C, pH 7.6-7.9, hardness 25-50 mg/L CaCO3, alkalinity 25-50 mg/L CaCO3; Concentration: >130 ug/L for 96 hr; Effect: decreased population abundance /> or =95% purity/

EC50; Species: Americamysis bahia (Opossum shrimp, age < or =24 hr); Conditions: freshwater, static, 20 °C, pH 7.6-7.9, hardness 25-50 mg/L CaCO3, alkalinity 25-50 mg/L CaCO3; Concentration: >550 ug/L for 96 hr; Effect: mortality /> or =95% purity/

EC50; Species: Daphnia magna (Water flea, age < or =24 hr); Conditions: freshwater, static, 20 °C, pH 7.6-7.9, hardness 25-50 mg/L CaCO3, alkalinity 25-50 mg/L CaCO3; Concentration: >160 ug/L for 48 hr; Effect: intoxication, immobilization /> or =95% purity/

LC50; Species: Cyprinodon variegatus (Sheepshead minnow, juvenile, length 6-17 mm); Conditions: freshwater, static, 22 °C, pH 7.6-7.9, hardness 25-50 mg/L CaCO3, alkalinity 25-50 mg/L CaCO3; Concentration: >480 ug/L for 96 hr /> or =95% purity/

For more Ecotoxicity Values (Complete) data for DIISOOCTYL PHTHALATE (12 total), please visit the HSDB record page.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1.6X10+4(SRC), determined from a water solubility of 0.09 mg/L(2) and a regression-derived equation(3), indicates that diisooctyl phthalate is expected to be immobile in soil(SRC). Volatilization of diisooctyl phthalate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 3.1X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 5.5X10-6 mm Hg(2), and water solubility(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Diisooctyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(2). Diisooctyl phthalate is expected to biodegrade in soils based upon screening studies conducted with microbial cultures isolated from sewage and sludge with degradation ranges from 75 to 99%(4-6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1.6X10+4(SRC), determined from a water solubility of 0.09 mg/L(2) and a regression-derived equation(3), indicates that diisooctyl phthalate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 3.1X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 5.5X10-6 mm Hg(2), and water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.5 and 25 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 4.3 years if adsorption is considered(4). According to a classification scheme(5), a measured BCF of 207 in Mosquito fish(6) suggests bioconcentration in aquatic organisms high(SRC). However, bioconcentration studies on compounds which are structurally similar suggest that bioconcentration may be lower than that indicated by the regression-derived equations due to the ability of aquatic organisms to readily metabolize this class of compounds(6). Hydrolysis is not expected to be an important process(SRC) based on estimated hydrolysis half-lives of 3.4 years and 130 days at pHs 7 and 8, respectively(7). Diisooctyl phthalate incubated for 28 days in fresh water/sediment degraded 2, <1-10, and 4% at 12, 22, and 28 °C, respectively(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisooctyl phthalate, which has a vapor pressure of 5.5X10-6 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase diisooctyl phthalate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 19 hours(SRC), calculated from its rate constant of 2.1X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase diisooctyl phthalate may be removed from the air by wet or dry deposition(SRC). Diisooctyl phthalate does contain chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).

Adverse Effects · 1건

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.

Exposure RoutesOral (L1903) ; inhalation (L1903) ; dermal (L1903)
Toxicity Summary · 1건

Phthalate esters are endocrine disruptors. They decrease foetal testis testosterone production and reduce the expression of steroidogenic genes by decreasing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide 3 (insl3), an important hormone secreted by the Leydig cell necessary for development of the gubernacular ligament. Animal studies have shown that these effects disrupt reproductive development and can cause a number of malformations in affected young. (A2883)

규제 정보

Regulatory Information · 5건

Chemical: 1,2-Benzenedicarboxylic acid, diisooctyl ester

Hazard Traits - Reproductive Toxicity;Authoritative List - EC Annex VI CMRs - Cat. 1B;Report - if used as a fragrance or flavor ingredient

Regulation (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

FDA Requirements · 2건

Diisooctyl phthalate is an indirect food additive for use only as a component of adhesives.

Diisooctyl phthalate is classified as a plasticizer when migrating from food-packaging material (for foods of high water content only).

TSCA Requirements · 1건

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,2-Benzenedicarboxylic acid, diisooctyl ester is included on this list. Efffective date 10/04/82; Sunset date 10/04/92.

Atmospheric Standards · 1건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Diisooctyl phthalate is produced, as an intermediate or final product, by process units covered under this subpart.

안전 데이터

HS 번호
2917340090

화학 및 산업

약리 정보

Metabolism/Metabolites · 3건

Butylglycolbutyl phthalate (BGBP) or diisoocytl phthalate (DIOP) was administered in diet to male Sprague-Dawley rats, beagle dogs and miniature pigs in dose of 50 mg/kg for 21-28 days before oral administration of single dose of same compound labeled with (14)C in carbonyl group. Diisoocytl phthalate was less readily metabolized than butylglycolbutyl phthalate by all species.

Strains of Mycobacterium and Nocardia isolated because of their ability to use di(2-ethylhexyl) phthalate (DEHP) as sole carbon source also grew on diethyl, diisooctyl, and butyl benzyl phthalates. As the two bacteria grew on di(2-ethylhexyl) phthalate, they excreted products that increased the solubility of di(2-ethylhexyl) phthalate and diisooctyl, dihexyl, and diisodecyl but not butyl benzyl or di-n-butyl phthalates. The solubilizer was produced by Mycobacterium sp. even when grown on a water-soluble substrate such as acetate. Addition of the solubilizer to culture media enhanced the degradation of di(2-ethylhexyl) phthalate and diisooctyl phthalate by Mycobacterium sp. and Nocardia sp. but not butyl benzyl phthalate. The extent of di(2-ethylhexyl) phthalate degradation by Mycobacterium sp. in media amended with the solubilizer was reduced and the initiation of degradation was delayed if the solubilizer was first treated with protease. The effect of protease was not a result of its toxicity to Mycobacterium or use of the enzyme preparation for growth of the organism. The results thus show that microbial products increase the solubility of certain phthalates and enhance their degradation.

Phthalate esters are first hydrolyzed to their monoester derivative. Once formed, the monoester derivative can be further hydrolyzed in vivo to phthalic acid or conjugated to glucuronide, both of which can then be excreted. The terminal or next-to-last carbon atom in the monoester can also be oxidized to an alcohol, which can be excreted as is or first oxidized to an aldehyde, ketone, or carboxylic acid. The monoester and oxidative metabolites are excreted in the urine and faeces. (A2884)

Absorption, Distribution and Excretion · 1건

In rats, dogs and miniature pigs, 50 mg/kg was administered 21-28 days before oral administration of single dose of same compound labeled with (14)C in carbonyl group. Approximately 1/2 of (14)C was excreted in rat urine and 1/2 in feces, while dogs showed 69-80% in feces, and pigs 65-86% in urine.

용도 및 제조

Uses · 6건

Used as plasticizer for polyvinyl chloride jackets for building wire, cellulosic and acrylate resins, and synthetic rubber; Also used as a penetration agent for fungicides; Permitted for use as an additive in plastics in contact with food in Italy and the US; [HSDB]

Farming (Pesticides) [Category: Industry]

PLASTICIZER FOR POLY VINYL CHLORIDE JACKETS FOR BUILDING WIRE

Plasticizer for vinyl, cellulosic and acrylate resins, and synthetic rubber.

ITS USE AS AN ADDITIVE IN PLASTICS WHICH WILL COME INTO CONTACT WITH FOOD IS PERMITTED IN ITALY AND UNITED STATES.

Phthalate esters are mainly used as plasticizers, primarily used to soften polyvinyl chloride. They are found in a number of products, including glues, building materials, personal care products, detergents and surfactants, packaging, children's toys, paints, pharmaceuticals, food products, and textiles. Phthalates are used in a variety of household applications such as shower curtains, vinyl upholstery, adhesives, floor tiles, food containers and wrappers, and cleaning materials. Personal care items containing phthalates include perfume, eye shadow, moisturizer, nail polish, liquid soap, and hair spray. (L1903)

U.S. Exports · 3건

(1972) 7.63X10+9 G (DIOCTYL PHTHALATES)

(1975) 9.26X10+9 G

(1984) 1.41X10+8 G

U.S. Production · 6건

2023: <25,000 lb;2022: <25,000 lb;2021: 100,000 - <250,000 lb;2020: 25,000 - <50,000 lb

(1972) 1.47X10+10 G

(1975) GREATER THAN 4.54X10+5 G

(1984) 1.37X10+11 G /DIOCTYL PHTHALATES/

1,2-Benzenedicarboxylic acid, diisooctyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1688]

Consumption PatternsALL PHTHALATE PLASTICIZERS: 89% IN POLYVINYL CHLORIDE RESINS; 3% IN OTHER VINYL RESINS; 3% IN CELLULOSE ESTER PLASTICS; 3% IN SYNTHETIC ELASTOMERS & OTHER POLYMERS; 2% IN OTHER APPLICATIONS (1974)
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable

상·하류 제품 정보

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]
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成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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