mono-Methyl phthalate - CAS 4376-18-5
Catalog: |
BB025452 |
Product Name: |
mono-Methyl phthalate |
CAS: |
4376-18-5 |
Synonyms: |
2-methoxycarbonylbenzoic acid |
IUPAC Name: | 2-methoxycarbonylbenzoic acid |
Description: | Phthalate Ester metabolite, linked to precocious puberty. |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | COC(=O)C1=CC=CC=C1C(=O)O |
InChI: | InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11) |
InChI Key: | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
Boiling Point: | 328.9 °C at 760 mmHg |
Melting Point: | 82 - 84 °C |
Density: | 1.288 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00002466 |
LogP: | 1.17140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210116363-A | Biodegradable container and manufacturing method thereof | 20210831 |
KR-20210111185-A | Biodegradable resin composition, biodegradable molded articles using same, and preperation method thereof | 20210730 |
KR-20210111186-A | Biodegradable resin composition, biodegradable film and biodegradable articles using same | 20210730 |
CN-113416369-A | Modified polytetrafluoroethylene die pressing pipe and preparation method thereof | 20210701 |
CN-113458386-A | Adhesive for additive manufacturing of metal slurry and preparation method and application thereof | 20210630 |
PMID | Publication Date | Title | Journal |
29385630 | 20180501 | Placental lncRNA Expression Is Associated With Prenatal Phthalate Exposure | Toxicological sciences : an official journal of the Society of Toxicology |
26924002 | 20161001 | Lethal and sublethal effects of phthalate diesters in Silurana tropicalis larvae | Environmental toxicology and chemistry |
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 |
22643239 | 20121101 | Expressing urine from a gel disposable diaper for biomonitoring using phthalates as an example | Journal of exposure science & environmental epidemiology |
22841773 | 20121001 | Dose-response analysis of phthalate effects on gene expression in rat whole embryo culture | Toxicology and applied pharmacology |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04225873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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