Dihexylphthalate - CAS 68515-50-4
Catalog: |
BB061592 |
Product Name: |
Dihexylphthalate |
CAS: |
68515-50-4 |
Synonyms: |
Dihexylphthalate, Branched And Linear |
Related CAS: | 84-75-3
|
IUPAC Name: | dihexyl benzene-1,2-dicarboxylate |
Description: | Dihexylphthalate is a phthalic ester, which is used as a plasticizers for vinyl plastics. Phthalates may be associated with reproductive toxicity in humans and animals. |
Molecular Weight: | 334.45 |
Molecular Formula: | C20H30O4 |
Canonical SMILES: | CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
InChI: | InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3 |
InChI Key: | KCXZNSGUUQJJTR-UHFFFAOYSA-N |
Boiling Point: | 662 °F at 735 mmHg |
Melting Point: | -72 °F |
Flash Point: | 350 °F |
Density: | 0.995 at 68 °F |
Solubility: | DMSO (Slightly), Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colourless to Pale Yellow Oil |
Storage: | 4°C |
References: | Saido, K., et al. J. Am. Oil Chem. Soc 61, 945 (1984); Foghmoes, S., et al. J. Eur. Ceram. Soc. 36, 3441 (2016); Przybylińska, P. A. and Wyszkowski, M. Ecol. Chem. Eng., S 23,347 (2016). |
GHS Hazard Statement: | H360FD: May damage fertility |
Precautionary Statement: | P203, P280, P318, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-114112597-A | Method for preparing milk powder containing phthalate plasticizer and application thereof | 20211207 |
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PMID | Publication Date | Title | Journal |
33983380 | 20210803 | Genomic and Hormonal Biomarkers of Phthalate-Induced Male Rat Reproductive Developmental Toxicity Part II: A Targeted RT-qPCR Array Approach That Defines a Unique Adverse Outcome Pathway | Toxicological sciences : an official journal of the Society of Toxicology |
33043605 | 20210201 | Combining metabolomics with bioanalysis methods to investigate the potential toxicity of dihexyl phthalate | Environmental toxicology |
32693021 | 20201010 | Di-n-hexyl phthalate causes Leydig cell hyperplasia in rats during puberty | Toxicology letters |
28927721 | 20180201 | Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay | Toxicology in vitro : an international journal published in association with BIBRA |
28571686 | 20170805 | Agonistic and antagonistic effects of phthalates and their urinary metabolites on the steroid hormone receptors ERα, ERβ, and AR | Toxicology letters |
26934186 | 20161101 | Evaluation of the effects of deltamethrin on the fetal rat testis | Journal of applied toxicology : JAT |
25938866 | 20150615 | Structure-dependent activity of phthalate esters and phthalate monoesters binding to human constitutive androstane receptor | Chemical research in toxicology |
24994688 | 20141101 | Assessment of estrogenic potential of diethyl phthalate in female reproductive system involving both genomic and non-genomic actions | Reproductive toxicology (Elmsford, N.Y.) |
23843199 | 20140701 | Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach | Journal of applied toxicology : JAT |
24503621 | 20140101 | Phthalate levels in cord blood are associated with preterm delivery and fetal growth parameters in Chinese women | PloS one |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.21440943 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.21440943 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.9 |
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