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Diisoundecyl phthalate

HCID 175686
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
96507-86-7
Standard SMILES
CC(C)CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C
InChIKey
LGBAGUMSAPUZPU-UHFFFAOYSA-N
Molecular formula
C30H50O4
Average molar mass
474.7 g/mol
Monoisotopic mass
474.37091007

Overview

Diisoundecyl 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)

Names & identifiers

Preferred name
Diisoundecyl phthalate
IUPAC
bis(9-methyldecyl) benzene-1,2-dicarboxylate
English name
DIUNDECYL PHTHALATE
Molecular formula
C30H50O4
Molecular weight
474.72

Names & synonyms

Diisoundecyl phthalate96507-86-7bis(9-methyldecyl) benzene-1,2-dicarboxylateDTXSID90242295EINECS 306-165-8RefChem:134100Diisoundecyl phthalic acidDTXCID901647861-dodecyl 2-(3-ethyl-2-propylhexyl) benzene-1,2-dicarboxylate306-165-8Bis(9-methyldecyl) phthalate500282-16-6
Show more names
Diplast L 11STDI-N-UNDECYL PHTHALATEDiundecyl Phthalate PHTHALIC ACID DIUNDECYL ESTERDiisoundecyl phthalate, techn.Di-iso-undecyl phthalate@100 μg/mL in MethanolDiundecylPhthalate(mixtureofbranchedchainisomers)>Diisoundecyl Phthalate (Mixture of Branched Isomers)
1,2-Benzenedicarboxylic acid, diisoundecyl esterdiisoundecylphthalateNSC17081SCHEMBL368921, bis(9-methyldecyl) esterSCHEMBL29400488LGBAGUMSAPUZPU-UHFFFAOYSA-NMSK159191

Database identifiers

CAS
96507-86-7

Properties

Computed structural properties

XLogP
11.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
22
Heavy atoms
34
Formal charge
0
Complexity
468

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Boiling point
267 °C · 267 °C / 3mmHg
refractive index
1.48 · 1.48
Flash point
239 °C · 239 °C
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
form
Oil
color
Colourless
RTECS
1980000 · TI1980000
HS Code
2917.34 · 2917.34.0150

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: 1,2-Benzenedicarboxylic acid, diisoundecyl ester

1,2-Benzenedicarboxylic acid, diisoundecyl 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.

Hazard Classes and CategoriesNot Classified

Toxicology

Health Effects · 1 item

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 item

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)

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

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)

Uses & manufacturing

Uses · 1 item

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)

Applications

UsesDiisoundecyl Phthalate is a phthalate diester and has been investigate for its toxicology in male rats for risk assessment.

Suppliers37 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
175686
DTXSID
DTXSID90242295
EC Number
306-165-8
Nikkaji
J820.924C
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).

Safety data

rtecs
TI1980000
hs_code
2917.34.0150
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
尤尼威尔化学品(上海)有限公司021-61932772 13012862996 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海思域化工科技有限公司021-34053660 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]