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bis(3,5,5-trimethylhexyl) phthalate

CAS 14103-61-8C26H42O4MW 418.6

bis(3,5,5-trimethylhexyl) phthalate (CAS 14103-61-8) — formula C26H42O4, molecular weight 418.6; category organic chemicals.

Product Overview

CAS Number14103-61-8
Molecular FormulaC26H42O4
Molecular Weight418.6
LogP9.1
ApplicationsUses: 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)
CategoryOrganic Chemicals

Applications

Documented applications: Uses: 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).

Technical Profile

What this product is

bis(3,5,5-trimethylhexyl) phthalate is a carbon-based organic compound with CAS registry number 14103-61-8 and molecular formula C26H42O4 (molecular weight 418.6), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 14103-61-8

Its molecular formula C26H42O4 comprises 26 C, 42 H, 4 O atoms.

Also known as: bis(3,5,5-trimethylhexyl) phthalate · 邻苯二甲酸二(3,5,5-三甲基己基)酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of bis(3,5,5-trimethylhexyl) phthalate?

The CAS registry number of bis(3,5,5-trimethylhexyl) phthalate is 14103-61-8.

What is the molecular formula and molecular weight of bis(3,5,5-trimethylhexyl) phthalate?

Molecular formula C26H42O4, molecular weight 418.6.

What other names is bis(3,5,5-trimethylhexyl) phthalate known by?

It is also registered under: bis(3,5,5-trimethylhexyl) phthalate, 邻苯二甲酸二(3,5,5-三甲基己基)酯.

What are the documented applications of bis(3,5,5-trimethylhexyl) phthalate?

Recorded applications: Uses: 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).

Which category does bis(3,5,5-trimethylhexyl) phthalate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for bis(3,5,5-trimethylhexyl) phthalate (CAS 14103-61-8), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number14103-61-8
PubChem CID34277
Molecular formulaC26H42O4
IUPAC namebis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate
UNII (FDA)19ND350H65

Computed descriptors

Molecular Weight418.6
XLogP39.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass418.30830982
Monoisotopic Mass418.30830982
Topological Polar Surface Area52.6
Heavy Atom Count30

Documented uses on record

  • 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)

Synonyms and trade names

Bis(3,5,5-trimethylhexyl) phthalate; 14103-61-8; bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate; alpha-Dinonyl phthalate; UNII-19ND350H65; EINECS 237-954-4; 19ND350H65; J216.866I; 1,2-Benzenedicarboxylic acid, bis(3,5,5-trimethylhexyl) ester; Phthalic acid di(3,5,5-trimethylhexyl) ester; PHTHALIC ACID BIS(3,5,5-TRIMETHYLHEXYL) ESTER; DI-3,5,5-TRIMETHYLHEXYL PHTHALATE; 1-HEXANOL, 3,5,5-TRIMETHYL-, PHTHALATE (2:1); 1,2-BENZENEDICARBOXYLIC ACID, 1,2-BIS(3,5,5-TRIMETHYLHEXYL) ESTER; DTXSID0057889; RefChem:120107

What the public record says

bis(3,5,5-trimethylhexyl) phthalate · CAS 14103-61-8 · C26H42O4. UNII 19ND350H65.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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