Di-n-octyl phthalate - CAS 117-84-0
Catalog: |
BB004016 |
Product Name: |
Di-n-octyl phthalate |
CAS: |
117-84-0 |
Synonyms: |
dioctyl benzene-1,2-dicarboxylate |
IUPAC Name: | dioctyl benzene-1,2-dicarboxylate |
Description: | Phthalate ester used as plasticizers and additives. Used in toxicology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM). |
Molecular Weight: | 390.56 |
Molecular Formula: | C24H38O4 |
Canonical SMILES: | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC |
InChI: | InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 |
InChI Key: | MQIUGAXCHLFZKX-UHFFFAOYSA-N |
Boiling Point: | 386.9 °C |
Melting Point: | -13 °F |
Flash Point: | 219 °F |
Density: | 0.986 g/cm3 |
Solubility: | less than 1 mg/mL at 66 °F |
Appearance: | Clear, Oily liquid |
Storage: | Sealed in dry, Room Temperature |
Decomposition: | When heated to decomp it emits acrid smoke and irritating fumes |
MDL: | MFCD00015292 |
LogP: | 6.72120 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | less than 0.2 mmHg at 302 °F |
GHS Hazard Statement: | Not Classified |
Precautionary Statement: | P273, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10934384-B1 | Polyurethane elastomer compositions, and processes thereof | 20200909 |
US-10934385-B1 | Polyurethane elastomers, bio-additive foam compositions | 20200909 |
EP-3842077-A1 | Embolization particles and method for preparing the same | 20191223 |
US-2021188946-A1 | Embolization particles and methods for preparing the same | 20191223 |
EP-3838985-A1 | Conductive composite material and thermoformed sheet thereof | 20191220 |
PMID | Publication Date | Title | Journal |
34197824 | 20211001 | DEHP-induced testicular injury through gene methylation pathway and the protective effect of soybean isoflavones in Sprague-Dawley rats | Chemico-biological interactions |
33631300 | 20210415 | Role of estrogen receptor alpha in MEHP-induced proliferation and invasion of SH-SY5Y cells | Toxicology |
33484791 | 20210301 | Di-(2-ethylhexyl) phthalate-induced hepatotoxicity exacerbated type 2 diabetes mellitus (T2DM) in female pubertal T2DM mice | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
33309551 | 20210215 | Metabolic, reproductive and thyroid effects of bis(2-ethylhexyl) phthalate (DEHP) orally administered to male and female juvenile rats at dose levels derived from children biomonitoring study | Toxicology |
32991955 | 20201215 | Ubiquitous plasticizer, Di-(2-ethylhexyl) phthalate enhances existing inflammatory profile in monocytes of children with autism | Toxicology |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 390.27700969 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 390.27700969 |
Rotatable Bond Count: | 18 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 9.1 |
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