3-(4-Chlorophenoxy)-1,2-propanediol - CAS 104-29-0
Catalog: |
BB001372 |
Product Name: |
3-(4-Chlorophenoxy)-1,2-propanediol |
CAS: |
104-29-0 |
Synonyms: |
3-(4-chlorophenoxy)propane-1,2-diol; 3-(4-chlorophenoxy)propane-1,2-diol |
IUPAC Name: | 3-(4-chlorophenoxy)propane-1,2-diol |
Description: | Chlorphenesin is an antigen-associated immunosuppressant that inhibits IgE-mediated histamine release. Chlorphenesin is also a synthetic preservative used in skin care as a cosmetic biocide. |
Molecular Weight: | 202.63 |
Molecular Formula: | C9H11ClO3 |
Canonical SMILES: | C1=CC(=CC=C1OCC(CO)O)Cl |
InChI: | InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2 |
InChI Key: | MXOAEAUPQDYUQM-UHFFFAOYSA-N |
Boiling Point: | 369.5 °C at 760 mmHg |
Melting Point: | 77-79°C |
Flash Point: | 177.2°C |
Density: | 1.317 g/cm3 |
Solubility: | Soluble to 41 mg/ml in DMSO and EtOH, to 41 mg/ml in water. |
Appearance: | Solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00021990 |
LogP: | 1.07200 |
Refractive Index: | 1.565 |
GHS Hazard Statement: | H302 (32.43%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113368298-A | Medical orthopedic adhesive material with antibacterial effect and preparation method thereof | 20210609 |
CN-113149818-A | Preparation process of chlorphenesin | 20210315 |
KR-102272130-B1 | natural preservative composition for cosmetics | 20210118 |
CN-112661617-A | Process for refining chlorphenesin by melt crystallization method | 20201229 |
JP-2021073195-A | Composition with stable taste and odor | 20201228 |
PMID | Publication Date | Title | Journal |
25406165 | 20150201 | Novel para-phenyl substituted diindolylmethanes protect against MPTP neurotoxicity and suppress glial activation in a mouse model of Parkinson's disease | Toxicological sciences : an official journal of the Society of Toxicology |
24480358 | 20140303 | Synthesis and biological evaluation of thiazoline derivatives as new antimicrobial and anticancer agents | European journal of medicinal chemistry |
22548403 | 20120801 | Multicenter study of preservative sensitivity in patients with suspected cosmetic contact dermatitis in Korea | The Journal of dermatology |
22052801 | 20120102 | Platinum(II) phenanthroimidazoles for targeting telomeric G-quadruplexes | ChemMedChem |
21959231 | 20111101 | Synthesis and anticandidal activity of new triazolothiadiazine derivatives | European journal of medicinal chemistry |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0396719 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0396719 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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