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Dipropyl phthalate

HCID 8559
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
131-16-8
標準SMILES
CCCOC(=O)c1ccccc1C(=O)OCCC
InChIKey
MQHNKCZKNAJROC-UHFFFAOYSA-N
分子式
C14H18O4
平均分子量
250.29 g/mol
単同位体質量
250.12050905

概要

Di-n-propyl phthalate is a colorless liquid. (NTP, 1992)

名称と識別子

優先名称
Dipropyl phthalate
IUPAC
dipropyl benzene-1,2-dicarboxylate
英語名
Dipropyl phthalate
分子式
C14H18O4
分子量
250.29

名称と別名

Dipropyl phthalate131-16-8Di-n-propylphthalateDI-N-PROPYL PHTHALATEdipropyl benzene-1,2-dicarboxylatePhthalic acid, dipropyl ester1,2-Benzenedicarboxylic acid, dipropyl esterPhthalic Acid Dipropyl EsterN-Dipropyl phthalatePhthalic acid di-n-propyl esterDTXSID50311338USP5Y77SS
名称をさらに表示
CHEBI:600691,2-benzenedicarboxylic acid dipropyl esterNSC-15314DTXCID3011133Di-PrP1,2-dipropyl benzene-1,2-dicarboxylateRefChem:586059205-015-8

データベース識別子

CAS
131-16-8
PubChem CID
8559
DTXSID
DTXSID5031133
ChEMBL
CHEMBL1483029
ChEBI
CHEBI:60069
UNII
8USP5Y77SS
EC Number
205-015-8
Nikkaji
J46.704I

物性

構造計算による物性

XLogP
4
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
8
重原子数
18
形式電荷
0
複雑度
247

実験および物理化学的性質

PolymersPlastics & Rubber -> Phthalate Esters
SpringerMaterials PropertiesBoiling point
LogP4.05
Density1.071 at 77 °F (NTP, 1992) - Denser than water; will sink
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point579 to 581 °F at 760 mmHg (NTP, 1992)
Vapor Pressure0.000132 [mmHg]
Physical Description · 2 件

Di-n-propyl phthalate is a colorless liquid. (NTP, 1992)

Colorless liquid; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]

Collision Cross Section171.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5031133]

物理化学的性質

沸点
317.5 °C · 317.5 °C

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 · 5 件

This chemical does not meet GHS hazard criteria for 5.1% (4 of 78) of reports.

Warning

H351 (37.2%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationDipropyl phthalate: 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 HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Hazards Summary · 1 件

Causes ptosis and somnolence in intraperitoneal lethal-dose studies of mice and rats (LDLo = 1,251 mg/kg); [RTECS] Reproductive toxicity in both sexes (shown by crossover mating) observed in oral study of mice at doses producing reduced parental weight gain; The high dose group (5% of feed equivalent to approximately 8,630 mg/kg) was sterile, had increased liver and kidney weights (without corresponding histopathology), and reduced seminal vesicles, epididymis, prostate, and testis weights, reduced sperm counts and motility, and increased sperm abnormalities; [NTP] May cause irritation; May cause reproductive toxicity; [Sigma-Aldrich MSDS] See PHTHALATE ESTERS.

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 件

DI-N-PROPYL 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.

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 · 2 件

Used to make plasticizers and plastics and for laboratory applications; [NTP]

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)

General Manufacturing Information1,2-Benzenedicarboxylic acid, 1,2-dipropyl ester: ACTIVE

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関連反応

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化合物ノート

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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
比重(密度)
1.082 g/cm3 · 1.0820 g/cm3
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesCarc. 2 (37.2%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
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.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, 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 ethanol followed by washing with a 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.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

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)

Adverse Effects · 1 件

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 · 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)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
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