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Diisohexyl phthalate

HCID 8970
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Grundinformationen

CAS
146-50-9
Standard-SMILES
CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C
InChIKey
ALEROMXYYSQFLX-UHFFFAOYSA-N
Summenformel
C20H30O4
Durchschnittliche Molmasse
334,4 g/mol
Monoisotopische Masse
334,21440944

Überblick

Diisohexyl phthalate is a phthalate ester. Phthalate esters are esters of phthalic acid and 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 hazardous due to their ability to act as endocrine disruptors. They are being phased out of many products in the United States and European Union due to these health concerns. (L1903)

Namen und Bezeichner

Bevorzugter Name
Diisohexyl phthalate
IUPAC
bis(4-methylpentyl) benzene-1,2-dicarboxylate
Englischer Name
Bis(4-methyl-2-pentyl)phthalate
Summenformel
C20H30O4
Molmasse
334.45

Namen und Synonyme

DIISOHEXYL PHTHALATE71850-09-4146-50-91,2-Benzenedicarboxylic acid, diisohexyl ester1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester1,2-Benzenedicarboxylic acid diisohexyl esterdiisohexyl benzene-1,2-dicarboxylateBis(4-methylpentyl) 1,2-benzenedicarboxylateEINECS 276-090-2Phthalic acid diisohexyl esterPhthalic acid di(4-methylpentyl) esterDiisohexyl phthalic acid
Weitere Namen anzeigen
BIS(4-METHYL-2-PENTYL)PHTHALATEBis(4-methyl-1-pentyl) phthalateBis(4-Methylpentyl)phthalate SolutionPhthalic acid, bis-4-methylpentyl esterC16174690 PhthaliCacid, bis-4-methylpentyLeBis(4-methyl-1-pentyl) phthalate in isooctaneBis(4-methylpentyl) Phthalate Discontinued, see D6792081,2-Benzenedicarboxylicacid, 1,2-bis(4-methylpentyl) ester
RefChem:5878321,2-bis(4-methylpentyl) benzene-1,2-dicarboxylateDTXCID701763975DTXSID401016727276-090-2690-072-5Bis(4-methylpentyl) phthalate259139-51-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,3
Polarare Oberfläche (TPSA)
52,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
12
Schwere Atome
24
Formalladung
0
Komplexität
340

Physikochemische Eigenschaften

Siedepunkt
341.5 · 341.5±10.0 °C(Predicted)
Dichte
1.01 · 1.010±0.06 g/cm3(Predicted)
Brechungsindex
20 · n20/D 1.484-1.488
storage temp.
Refrigerator
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Oil
Farbe
Colourless
Major Application
environmental
InChI
1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3
InChIKey
ALEROMXYYSQFLX-UHFFFAOYSA-N
SMILES
O=C(OCCCC(C)C)C1=CC=CC=C1C(OCCCC(C)C)=O

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 · 6 Einträge

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 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Hazard Traits - Reproductive Toxicity

Substance: Diisohexyl phthalate

Hazard Classes and Categories · 4 Einträge

Not Classified

Reproductive toxicity - category 1B

Reproductive toxicity - Category 1B

Repr. 1B

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)

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)

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 · 1 Eintrag

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)

Anwendungen

VerwendenBis(4-methyl-2-pentyl)phthalate, is a phthalic acid ester (PAEs), widely used in many consumable products with potential carcinogenic properties. It is also the product of the fermentation of Streptomyces regnesis 099.

Anbieter34 Anbieter

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
VladaChem GmbH

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Datenbank-Bezeichner

CAS
146-50-9、259139-51-0、71850-09-4
PubChem CID
8970
DTXSID
DTXSID20873995
EC Number
276-090-2、690-072-5
Nikkaji
J342.587H
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).

Sicherheitsdaten

wgk
WGK 3
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Repr. 1B
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