1,2-环己烷二甲酸二异壬酯

Description

Di-isononyl-cyclohexane-1,2-dicarboxylate · CAS 166412-78-8 · C26H48O4. UNII H26MNT7GT7. Boiling Point: 394 °C; Flash Point: 224 °C (COC); Solubility: Iin water, <0.02 mg/L.

Identification

CAS Registry Number	166412-78-8
PubChem CID	11524680
Molecular formula	C26H48O4
IUPAC name	bis(7-methyloctyl) cyclohexane-1,2-dicarboxylate
UNII (FDA)	H26MNT7GT7

Computed Descriptors

Molecular Weight	424.7
XLogP3	8.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	18
Exact Mass	424.35526001
Monoisotopic Mass	424.35526001
Topological Polar Surface Area	52.6
Heavy Atom Count	30
Formal Charge	0

Physical & Chemical Properties

Boiling Point	394 °C
Flash Point	224 °C (COC)
Solubility	Iin water, <0.02 mg/L
Collision Cross Section	316.74 Ų [2M+Na]+
Collision Cross Section	222.03 Ų [M+Na]+
Collision Cross Section	224.82 Ų [M+H]+

Physical description & handling notes

• Colorless liquid
• Odorless
• Specific gravity slightly less than 1
• VP: 1.2X10-7 mm Hg

Regulatory Status

GHS notification summary	100% (136 / 136)

GHS Hazard Classification

GHS notification summary	100% (136 / 136)

Documented Uses

• ... Plasticizer that was developed for use in applications that are particularly sensitive based on exposure and toxicological issues. It is recommended for use in medical products, toys, and food packaging applications.
• ... Used as a plasticizer in PVC in concentrations up to 40%. It is used in PVC cling films for fresh meat packaging (10%), for aqueous food and fruits and vegetables (35%), artificial corks (35%), sealing gaskets for beverage containers (35%), flexible tubes for beverages (40%), in other foods (12%), and on conveyor belts for fatty foods (12%).
• Hexamoll DINCH was recently developed by BASF ... for use as a PVC plasticizer and, specifically, to replace DEHP /di(2-ethylhexyl) phthalate/ and DINP /diisononyl phthalate/ in products such as food contact applications, childcare articles, and children's toys. Other targeted application areas include medical articles and shoes, as well as non-PVC applications such as adhesives, cosmetics, artificial leather, textile coatings, and erasers.
• ... DINCH /1,2- cyclohexanedicarboxylic acid, dinonyl ester/ is produced by hydrogenation of DINP /diisononyl phthalate/ in the presence of a catalyst.
• DINCH is rapidly absorbed after oral administration, but absorption is saturable and incomplete. Absorption was estimated to account for 40-49% of the administered dose at the low dose tested, but only 5-6% at the high dose. Absorbed DINCH does not accumulate in the tissues. ... . Absorbed DINCH is eliminated in the bile (primarily as the glucuronic acid conjugate of the monoisononyl ester) and the urine (primarily as cyclohexane dicarboxylic acid).
• DINCH is metabolized initially through hydrolysis to the monoisononyl ester, which can be further metabolized in 2 ways, either by conjugation to glucuronic acid or by the hydrolysis of the mono ester to cyclohexane dicarboxylic acid.

Synonyms

166412-78-8; Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate; DINCH; Diisononyl hexahydrophthalate; Hexamoll DINCH; Diisononyl cyclohexane-1,2-dicarboxylate; Hexamoll; Flocare 35138; 1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester; Elatur CH; H26MNT7GT7; Bis(isononyl)cyclohexane 1,2-dicarboxylate; HEXAMOLL [HSDB]; HSDB 8098; 1,2-Cyclohexanedicarboxylic acid, diisononyl ester; DTXSID8047395

Frequently Asked Questions

What are the CAS number and molecular formula of Di-isononyl-cyclohexane-1,2-dicarboxylate?

CAS 166412-78-8; molecular formula C26H48O4; molecular weight — g/mol.

What other names is Di-isononyl-cyclohexane-1,2-dicarboxylate known by?

166412-78-8, Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate, DINCH, Diisononyl hexahydrophthalate, Hexamoll DINCH, Diisononyl cyclohexane-1,2-dicarboxylate.

Is Di-isononyl-cyclohexane-1,2-dicarboxylate classified as hazardous?

100% of GHS notifications report no hazard classification (136 of 136).

What are the key physical properties of Di-isononyl-cyclohexane-1,2-dicarboxylate?

Boiling Point: 394 °C; Flash Point: 224 °C (COC); Solubility: Iin water, <0.02 mg/L; Collision Cross Section: 316.74 Ų [2M+Na]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.