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Decyloctylphthalat

Octyl decyl phthalate

HCID 8380
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Grundinformationen

CAS
119-07-3
Standard-SMILES
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
InChIKey
LVAGMBHLXLZJKZ-UHFFFAOYSA-N
Summenformel
C26H42O4
Durchschnittliche Molmasse
418,6 g/mol
Monoisotopische Masse
418,30830982

Überblick

Octyl decyl phthalate is a colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
Octyl decyl phthalate
IUPAC
2-O-decyl 1-O-octyl benzene-1,2-dicarboxylate
Lokaler Name
Decyloctylphthalat
Englischer Name
N-OCTYL-N-DECYL PHTHALATE
Summenformel
C26H42O4
Molmasse
418.61

Namen und Synonyme

Decyl octyl phthalateOCTYL DECYL PHTHALATE119-07-3Dinopol 235Staflex 500N-Octyl-N-decyl phthalaten-Decyl n-octyl phthalaten-Octyl n-decyl phthalatePhthalic acid, decyl octyl ester1,2-Benzenedicarboxylic acid, decyl octyl ester2-O-decyl 1-O-octyl benzene-1,2-dicarboxylateDTXSID1047497
Weitere Namen anzeigen
DNODPdinopol235staflex500Morflex 175Morflex 125polycizer532
HSDB 1242EINECS 204-295-9Decyl Octyl 1,2-benzenedicarboxylateBRN 20091419E1KBO18K0DTXCID90274971,2-Benzenedicarboxylic acid, 1-decyl 2-octyl esternOctylndecyl phthalate

Datenbank-Bezeichner

CAS
119-07-3
PubChem CID
8380
DTXSID
DTXSID1047497
ChEMBL
CHEMBL3183781

Eigenschaften

Berechnete Struktureigenschaften

XLogP
10,1
Polarare Oberfläche (TPSA)
52,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
20
Schwere Atome
30
Formalladung
0
Komplexität
435

Experimentelle und physikochemische Eigenschaften

PolymersPlastics & Rubber -> Phthalate Esters
OdorMild characteristic odor
Density · 2 Einträge

0.972 to 0.976 (USCG, 1999)

0.972-0.976 at 20 °C/20 °C

Color/FormClear liquid
SolubilityPhthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/
Flash Point · 2 Einträge

455 °F (NTP, 1992)

455 °F (COC)

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point · 2 Einträge

462 °F at 4 mmHg (NTP, 1992)

233-267 °C at 4 mm Hg

DecompositionWhen heated to decomposition, it emits acrid smoke and irritating fumes.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1,2-Benzenedicarboxylic acid, decyl octyl ester

1,2-Benzenedicarboxylic acid, decyl octyl ester: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
Health HazardsExposure can cause irritation of eyes, nose and throat. (USCG, 1999)
Hazards Summary · 1 Eintrag

Oral LD50 (rat) = 45 g/kg; [Sax] Like dioctyl phthalate, it may cause CNS depression and mild liver toxicity after ingestion of large amounts; [HSDB] In general, phthalate esters have extremely low vapor pressures, and they are readily biodegraded; An eye, nose, and throat irritant; [CAMEO] Harmful by inhalation, skin absorption, and ingestion; [MSDSonline] See PHTHALATE ESTERS.

FDA RequirementsOctyldecyl phthalate is an indirect food additive for use only as a component of adhesives.
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

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)

Verwendung und Herstellung

Uses · 3 Einträge

Used as plasticizer for vinyl resins; [Hawley]

Plasticizer for vinyl resins

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. Production · 5 Einträge

(1971) 6.1X10+10 G

(1975) GREATER THAN 1.36X10+6 G

(1983) /PROBABLY/ LESS THAN 2.27X10+6 G

This chemical is listed as an Extended High Production Volume (EHPV). Chemicals listed as EHPV were produced in or imported into the U.S. in >1 million pounds according to the 2002 Toxic Substances Control Act (TSCA) Inventory Update. The EHPV program is a voluntary initiative that allows companies to demonstrate that adequate screening data exist for organic HPV chemicals.

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#3050]

Consumption Patterns100% AS A PLASTICIZER (1976)

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
UNII
9E1KBO18K0
EC Number
204-295-9
Nikkaji
J47.663C
Melting Point · 2 Einträge

-40 °F (USCG, 1999)

Freezing point: -40 °C

Vapor Pressure · 2 Einträge

0.00000039 [mmHg]

Vapor pressures for phthalate esters are extremely low, contributing much to their thermal stability in plastics. /Phthalate esters/

Refractive IndexIndex of refraction: 1.482 at 25 °C

Physikochemische Eigenschaften

Schmelzpunkt
25 °C · 25°C
Siedepunkt
456.33 °C · 456.33°C (rough estimate)
Dichte
0.98 · 0.9800
Brechungsindex
1.451 · 1.4510 (estimate)
Flammpunkt
455 °F · 455°F (COC)
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand
Oil
Farbe
A clear liquid
Henry's Law Constant
4.7 · 4.7×10-1 mol/(m3Pa) at 25℃, HSDB (2015)
Stabilität
Stable. Combustible. Incompatible with strong oxidizing agents.
CAS Datenbank
119 · 119-07-3
EPA chemische Informationen
Octyl decyl phthalate (119-07-3)
Special Reports · 3 Einträge

Nat'l Research Council Canada; Phthalate Esters in the Aquatic Environment (1980) NRCC No. 17583

USEPA; Ambient Water Quality Criteria Doc: Phthalate Esters (1980) EPA 440/5-80-067

USEPA/ECAO; Atlas Document for: Phthalate Esters (1980)

TSCA Requirements · 1 Eintrag

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, decyl octyl ester is included on this list. Effective date 10/04/92; Sunset date 10/04/92.

Reactivity Profile · 1 Eintrag

OCTYL DECYL PHTHALATE reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Hazardous Reactivities and Incompatibilities... Can react vigorously with oxidizing materials.

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents Not to Be Used: Water.
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Firefighting HazardsCombustible.
Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 Eintrag

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.

Preventive Measures · 1 Eintrag

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

Personal Protective Equipment (PPE)Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)

Toxikologische Informationen

Health Effects · 1 Eintrag

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)

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 6.6X10+5(SRC), determined from a structure estimation method(2), indicates that octyl decyl phthalate is expected to be immobile in soil(SRC). Volatilization of octyl decyl phthalate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.1X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Octyl decyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.9X10-7 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2008); however, biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 6.6X10+5(SRC), determined from a structure estimation method(2), indicates that octyl decyl phthalate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.1X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.6 and 47 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 260 years if adsorption is considered (5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of 9.52(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Hydrolysis is not expected to be an important process(SRC) based on estimated hydrolysis half-lives of 7.7 years and 280 days at pHs 7 and 8, respectively(9). Biodegradation data were not available(SRC, 2008); however, biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octyl decyl phthalate, which has an estimated vapor pressure of 3.9X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase octyl decyl 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 16 hours(SRC), calculated from its rate constant of 2.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase octyl decyl phthalate may be removed from the air by wet or dry deposition(SRC). Octyl decyl phthalate does contain chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesOral (L1903) ; inhalation (L1903) ; dermal (L1903)
Toxicity Summary · 1 Eintrag

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)

Signs and SymptomsPhthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (A2883)
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc of octyl decyl phthalate can be estimated to be 6.6X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that octyl decyl phthalate is expected to be immobile in soil.

Artificial Pollution SourcesOctyl decyl phthalate's production and use as a plasticizer for vinyl resins(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAlthough the biodegradation of octyl decyl phthalate was not studied, biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(1)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Environmental Bioconcentration · 1 Eintrag

An estimated BCF of 3 was calculated in fish for octyl decyl phthalate(SRC), using an estimated log Kow of 9.52(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1 Eintrag

The Henry's Law constant for octyl decyl phthalate is estimated as 2.1X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that octyl decyl phthalate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 47 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 260 years when adsorption is considered(3). Octyl decyl phthalate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Octyl decyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.9X10-7 mm Hg(SRC), determined from a fragment constant method(4).

Regulatorische Informationen

FDA RequirementsOctyldecyl phthalate is an indirect food additive for use only as a component of adhesives.
TSCA Requirements · 1 Eintrag

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, decyl octyl ester is included on this list. Effective date 10/04/92; Sunset date 10/04/92.

Sicherheitsdaten

tsca
TSCA listed
Toxizität
LD50 orl-rat: 45 g/kg AIHAAP 30,470,69
Giftige Stoffe Daten
119-07-3(Hazardous Substances Data)
Formulations/Preparations
COMPRISES 31.1% OF A TYPICAL MELT-MIXED POLYVINYLCHLORIDE POWDER-COATING FORMULATION /FROM TABLE/
General Manufacturing Information · 2 Einträge

1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester: ACTIVE

The first step, alcoholysis of phthalic anhydride (PA) to give the monoester, is rapid and goes to completion. The reaction generally starts at elevated temperatures and proceeds exothermically. The second step is the conversion of the monoester to a diester with the formation of water. This is a reversible reaction and proceeds more slowly than the first, thus determining the overall rate of reaction. To shift the equilibrium towards the diester, the water of reaction is removed by distillation. The rate of reaction can be influenced by the choice of catalyst and the reaction temperature. For fast conversion rates, high reaction temperatures are generally used. However, these are influenced by the boiling point of the alcohol and/or the type of catalyst. ... Currently, nearly all major phthalate producers use amphoteric catalysts for the esterification of high boiling alcohols. ... The reaction temperatures for the amphoteric catalysts are about 200 °C. At this temperature side reactions are minimized, and the alcohol can be recycled without purification. By using this type of catalyst, over 99.5 % conversion to diester can be achieved. /Phthalates/

Anwendungen · 1 Eintrag

VerwendenDecyl Octyl Phthalate is an phthalate esters used as plasticizers and additives. Used in toxiciology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM).

Anbieter18 Anbieter

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