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フタル酸1-デシル2-オクチル

Octyl decyl phthalate

HCID 8380
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
119-07-3
標準SMILES
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
InChIKey
LVAGMBHLXLZJKZ-UHFFFAOYSA-N
分子式
C26H42O4
平均分子量
418.6 g/mol
単同位体質量
418.30830982

概要

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)

名称と識別子

優先名称
Octyl decyl phthalate
IUPAC
2-O-decyl 1-O-octyl benzene-1,2-dicarboxylate
現地名
フタル酸1-デシル2-オクチル
英語名
N-OCTYL-N-DECYL PHTHALATE
分子式
C26H42O4
分子量
418.61

名称と別名

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
名称をさらに表示
ポリサイザー532ジノポル-235ポリシゼル-562ポリシゼル-532ポリサイザー562スタフレックス-500フタル酸1-デシル2-オクチルデシル=オクタン-2-イル=フタラートN-デシルフタル酸N-オクチルオクチルフタル酸デシル1-デシル 2-オクチル ベンゼン-1,2-ジカルボキシラートDNODPdinopol235staflex500Morflex 175Morflex 125polycizer532
HSDB 1242EINECS 204-295-9Decyl Octyl 1,2-benzenedicarboxylateBRN 20091419E1KBO18K0DTXCID90274971,2-Benzenedicarboxylic acid, 1-decyl 2-octyl esternOctylndecyl phthalate

物性

構造計算による物性

XLogP
10.1
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
20
重原子数
30
形式電荷
0
複雑度
435

実験および物理化学的性質

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

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 件

455 °F (NTP, 1992)

455 °F (COC)

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point · 2 件

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.
Melting Point · 2 件

-40 °F (USCG, 1999)

Freezing point: -40 °C

Vapor Pressure

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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 件

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
Special Reports · 3 件

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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)

用途と製造

Uses · 3 件

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 件

(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)
Formulations/PreparationsCOMPRISES 31.1% OF A TYPICAL MELT-MIXED POLYVINYLCHLORIDE POWDER-COATING FORMULATION /FROM TABLE/

関連反応

0 件
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現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
119-07-3
PubChem CID
8380
DTXSID
DTXSID1047497
ChEMBL
CHEMBL3183781
UNII
9E1KBO18K0
EC Number
204-295-9
Nikkaji
J47.663C
· 2 件

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

物理化学的性質

融点
25 °C · 25°C
沸点
456.33 °C · 456.33°C (rough estimate)
比重(密度)
0.98 · 0.9800
屈折率
1.451 · 1.4510 (estimate)
闪点
455 °F · 455°F (COC)
溶解性
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
外見
Oil
色
透明な液体
Henry's Law Constant
4.7 · 4.7×10-1 mol/(m3Pa) at 25℃, HSDB (2015)
安定性
安定。可燃性。強力な酸化剤とは相容れない。
CAS データベース
119 · 119-07-3
EPAの化学物質情報
Octyl decyl phthalate (119-07-3)

化学的性質

化学的特性colourless liquid

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 件

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 件

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.

安全と保護具

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

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 件

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 件

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 件

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)

毒性情報

Health Effects · 1 件

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 件

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 件

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 件

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 件

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 件

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).

法規制情報

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

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.

安全データ

tsca
TSCA listed
毒性
LD50 orl-rat: 45 g/kg AIHAAP 30,470,69
有毒物質データの
119-07-3(Hazardous Substances Data)
General Manufacturing Information · 2 件

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/

応用分野 · 2 件

使用Decyl 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).

一般的な説明Colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water.

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