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ジトリデカン-1-イル=フタラート

Ditridecyl phthalate

HCID 8379
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
119-06-2
標準SMILES
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC
InChIKey
YCZJVRCZIPDYHH-UHFFFAOYSA-N
分子式
C34H58O4
平均分子量
530.8 g/mol
単同位体質量
530.43351033

概要

Nearly colorless oily liquid. Floats on water. (USCG, 1999)

名称と識別子

優先名称
Ditridecyl phthalate
IUPAC
ditridecyl benzene-1,2-dicarboxylate
現地名
ジトリデカン-1-イル=フタラート
英語名
DITRIDECYL PHTHALATE
分子式
C34H58O4
分子量
530.82

名称と別名

DITRIDECYL PHTHALATENuoplazStaflex DTDPTruflex DTDPDi(tridecyl) phthalateBis(tridecyl) phthalate1-Tridecanol, phthalateditridecyl benzene-1,2-dicarboxylateJayflex DTDPPhthalic acid, ditridecyl ester1,2-Benzenedicarboxylic acid, ditridecyl esterDitridecyl 1,2-benzenedicarboxylate
名称をさらに表示
ジトリデカン-1-イル=フタラートフタル酸ジトリデシルフタル酸ビストリデシルポリサイザー962BPAトルフレックスDTDPポリシゼル-962-BPAジトリデシル=フタラートヌオプラズスタフレックスDTDPフタル酸ジトリデシル エステルジトリデシルフタレートMORFLEX® X-1125 (1000 ΜG/ML IN HEXANE)MORFLEX® X-1125Morflex® x-1125, 1000 ug/mL in HexaneMorflexR x-1125ジトリデシルフタラート1,2-ジトリデシル ベンゼン-1,2-ジカルボキシラートPX-126jayflexdtdpstaflexdtdptruflexdtdpNuoplaz DTDP
CCRIS 6197HSDB 381EINECS 204-294-3BRN 2023076UNII-I7417R35441,2-Benzenedicarboxylic acid, 1,2-ditridecyl esterDTXSID2025214I7417R3544

物性

構造計算による物性

XLogP
14.5
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
28
重原子数
38
形式電荷
0
複雑度
499

実験および物理化学的性質

PolymersPlastics & Rubber -> Phthalate Esters
Density · 2 件

0.951 (USCG, 1999) - Less dense than water; will float

0.952 g/cu cm at 25 °C

Viscosity190 cP at 25 °C
Color/FormLiquid
Solubility · 2 件

IN GENERAL THEY ARE LIQUIDS OF LOW VOLATILITY, COLORLESS OR VERY SLIGHTLY COLORED, & ONLY VERY SLIGHTLY SOL IN WATER. /PHTHALIC ESTERS/

Phthalate 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 · 3 件

460 °F (NTP, 1992)

470 °F (open cup)

470 °F (243 °C) (Open cup)

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point · 2 件

greater than 545 °F at 5 mmHg (NTP, 1992)

285 °C at 3.5 mm Hg

DecompositionWhen heated to decomp it emits acrid smoke and irritating fumes.

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 · 6 件

This chemical does not meet GHS hazard criteria for 100% (453 of 453) of all reports.

Not Classified

Aggregated GHS information provided per 453 reports by companies from 1 notifications to the ECHA C&L Inventory.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P260, P261, P272, P280, P302+P352, P319, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,2-Benzenedicarboxylic acid, ditridecyl ester

Regulation (EC) No 178/2002 (amended)

1,2-Benzenedicarboxylic acid, ditridecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsSpecial Hazards of Combustion Products: Irritating vapor when heated. (USCG, 1999)
Fire PotentialCOMBUSTIBLE WHEN EXPOSED TO HEAT OR FLAME.
Health HazardsMist or fumes from hot processing may cause irritation, nausea and vomiting. (USCG, 1999)
Hazards Summary · 1 件

Rats fed 250 mg/kg/day for 42 days survive, but show evidence of liver injury; Oral LD50 (rat) >2000 mg/kg; Like dioctyl phthalate, it may cause CNS depression and mild liver toxicity after ingestion of large amounts; [HSDB] May cause irritation; [MSDSonline] See PHTHALATE ESTERS.

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Special Reports · 4 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 · 4 件

Used as plasticizer for polyvinyl chloride in cable and high-temperature wire insulation; [HSDB]

PLASTICIZER FOR POLYVINYL CHLORIDE FOR CABLE INSULATION, ELECTRICAL WIRE & BUILDING WIRE

Plasticizer in high temp wire compounds

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. Imports · 2 件

(1972) NEGLIGIBLE

(1974) 1.71X10+8 G

U.S. Production · 4 件

(1972) 1.09X10+10 G

(1975) 7.12X10+9 G

1,2-Benzenedicarboxylic acid, ditridecyl 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#1146]

関連反応

0 件
反応記録を作成

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
119-06-2
PubChem CID
8379
DTXSID
DTXSID2025214
UNII
I7417R3544
EC Number
204-294-3
Nikkaji
J63.334H
Melting Point
less than -34.6 °F (USCG, 1999)
Vapor PressureVapor pressure for phthalate esters are extremely low, contributing much to their thermal stability in plastics. /Phthalate esters/
Physical Description · 2 件

Nearly colorless oily liquid. Floats on water. (USCG, 1999)

Nearly colorless liquid; [CAMEO] Clear water white liquid; [MSDSonline]

物理化学的性質

融点
-36.9 °C · -36.9°C
沸点
530.14 °C · 530.14°C (rough estimate)
比重(密度)
0.951 · 0.9510
屈折率
1.476 · 1.4760 (estimate)
溶解性
Chloroform (Slightly), DMSO (Slightly)
水溶解度
0.34 mg/L · 0.34mg/L(24℃)
BRN
2023076 · 2023076
Henry's Law Constant
3.6 · 3.6×10-3 mol/(m3Pa) at 25℃, Cousins and Mackay (2000)
EPAの化学物質情報
Ditridecyl phthalate (119-06-2)

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)

EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Available from the Database Query page at: http://www.epa.gov/hpv/pubs/hpvrstp.htm on Phthalate Esters Category, Ditridecyl phthalate (119-06-2), 20 pp. (2007) as of April 29, 2008.

TSCA Requirements · 2 件

A testing consent order is in effect for ditridecyl phthalate for chemical fate testing. FR citation: 1/9/89.

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, diundecyl ester is included on this list. Effective date 10/04/82; Sunset date 10/04/92.

Reactivity Profile · 1 件

DITRIDECYL PHTHALATE is an ester. Esters react 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 of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Can generate electrostatic charges [Handling Chemicals Safely, 1980. p. 250].

Air and Water ReactionsInsoluble in water.
NFPA Hazard Classification · 3 件

1 - Materials that, under emergency conditions, can cause significant irritation.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and Categories · 2 件

Not Classified

Reproductive toxicity - Category 2, Additional category for effects on or via lactation

安全と保護具

Fire FightingFire Extinguishing Agents: Water spray, alcohol foam, carbon dioxide or dry chemical. (USCG, 1999)
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.

Fire Fighting Procedures · 2 件

To fight fire use dry chemical, carbon dioxide.

Water or foam may cause frothing.

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)Self-contained breathing apparatus and full turn out gear (Fire resistant helmet with full neck and face covers, self-contained breathing apparatus, flame resistant coat and pants, pair of boots). (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)

Ecotoxicity Values · 5 件

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: >600 ug/L for 96 hr; Effect: decreased population abundance /> or =96% purity/

EC50; Species: Daphnia magna (Water flea, age < or =24 hr); Conditions: freshwater, static, 22 °C, pH 7.6-7.9, hardness 25-50 mg/L CaCO3, alkalinity 25-50 mg/L CaCO3; Concentration: >50 ug/L for 48 hr; Effect: intoxication, immobilization /> or =95% purity/

LC50; 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: >800 ug/L for 96 hr /> 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: >650 ug/L for 96 hr /> or =95% purity/

For more Ecotoxicity Values (Complete) data for DITRIDECYL PHTHALATE (8 total), please visit the HSDB record page.

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an average Koc value of 1.2X10+6(2), indicates that ditridecyl phthalate is expected to be immobile in soil(SRC). Volatilization of ditridecyl phthalate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.2X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Ditridecyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.5X10-11 mm Hg(SRC), determined from a fragment constant method(4). Using an inoculum obtained from soil and sewage sludge, ditridecyl phthalate underwent >50% primary biodegradation under aerobic conditions in 28 days, and 37% mineralization to carbon dioxide during the same time period(5).

AQUATIC FATE: Based on a classification scheme(1), an average Koc value of 1.2X10+6(2), indicates that ditridecyl 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 2.2X10-4 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 16 hours and 12 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 volatilization half-life from a model pond is about 5600 years when adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of 13.45(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). Ditridecyl phthalate underwent 51.5% biodegradation in a semi-continuous activated sludge test under aerobic conditions in 24 hrs, and complete degradation was observed in 12 days in an activated sludge die-away test under aerobic conditions(10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ditridecyl phthalate, which has an estimated vapor pressure of 2.5X10-11 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase ditridecyl phthalate may be removed from the air by wet or dry deposition(SRC). Ditridecyl phthalate does contain chromophores that absorb at wavelengths >290 nm(3) 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)

Ecotoxicity Excerpts · 1 件

/AQUATIC SPECIES/ Chronic toxicity studies were performed with commercial phthalate esters and Daphnia magna (14 phthalates) and rainbow trout (Oncorhynchus mykiss) (six phthalates). For the lower-molecular-weight phthalate esters - dimethyl phthalate (DMP), diethyl phthalate (DEP), di-n-butyl phthalate (DBP), and butylbenzyl phthalate (BBP) - the results of the studies indicated a general trend in which toxicity for both species increased as water solubility decreased. The geometric mean maximum acceptable toxicant concentration (GM-MATC) for D. magna ranged from 0.63 to 34.7 mg/L. For the higher-molecular-weight phthalate esters - dihexyl phthalate (DHP), butyl 2-ethylhexyl phthalate (BOP), di-(n-hexyl, n-octyl, n-decyl) phthalate (610P), di-(2-ethylhexyl) phthalate (DEHP), diisooctyl phthalate (DIOP), diisononyl phthalate (DINP), di-(heptyl, nonyl, undecyl) phthalate (711P), diisodecyl phthalate (DIOP), diundecyl phthalate (DUP), and ditridecyl phthalate (DTDP) - the GM-MATC values ranged from 0.042 to 0.15 mg/L. Survival was equally sensitive and sometimes more sensitive than reproduction. The observed toxicity to daphnids with most of the higher-molecular-weight phthalate esters appeared to be due to surface entrapment or a mode of toxicity that is not due to exposure to dissolved aqueous-phase chemical. Early life-stage toxicity studies with rainbow trout indicated that survival (DMP) and growth (DBP) were affected at 24 and 0.19 mg/L, respectively.

Signs and SymptomsPhthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (A2883)
Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=119-06-2][Available from: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=119-06-2]

Soil Adsorption/Mobility · 1 件

The average Koc of (14)C-ditridecyl phthalate using three standard USEPA sediments (supplied and characterized by the EPA) was measured at 1.2X10+6(1). According to a classification scheme(2), this Koc value suggests that ditridecyl phthalate is expected to be immobile in soil.

Artificial Pollution SourcesDitridecyl phthalate's production and use as a plasticizer(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1 件

AEROBIC: Using an inoculum obtained from soil and sewage sludge, ditridecyl phthalate underwent >50% primary biodegradation under aerobic conditions in 28 days, and 37% mineralization to carbon dioxide during the same time period(1). Ditridecyl phthalate underwent 51.5% biodegradation in a semi-continuous activated sludge test under aerobic conditions in 24 hrs, and complete degradation was observed in 12 days in an activated sludge die-away test under aerobic conditions(2). When ditridecyl phthalate was incubated with pure cultures of Pseudomonas acidovorans under aerobic conditions, the initial products from this reaction were phthalic acid and tridecyl alcohol(3).

法規制情報

TSCA Requirements · 2 件

A testing consent order is in effect for ditridecyl phthalate for chemical fate testing. FR citation: 1/9/89.

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, diundecyl ester is included on this list. Effective date 10/04/82; Sunset date 10/04/92.

安全データ

wgk
3
tsca
TSCA listed
毒性
rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
化審法
一般化学物質
有毒物質データの
119-06-2(Hazardous Substances Data)
Consumption Patterns
100% AS A VINYL PLASTICIZER
General Manufacturing Information · 2 件

1,2-Benzenedicarboxylic acid, 1,2-ditridecyl 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

使用Ditridecyl Phthalate can be used to evaluate potential skin sensitization of dialkyl phthalate esters. It can also be used to determine prenatal developmental toxicity of diundecyl and ditridecyl phthalates in Sprague-Dawley rats.

一般的な説明Nearly colorless oily liquid. Floats on water.

サプライヤー22 社

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Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
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