p-Tolylacetic acid - CAS 622-47-9
Catalog: |
BB031485 |
Product Name: |
p-Tolylacetic acid |
CAS: |
622-47-9 |
Synonyms: |
2-(4-methylphenyl)acetic acid |
IUPAC Name: | 2-(4-methylphenyl)acetic acid |
Description: | p-Tolylacetic acid (CAS# 622-47-9) is a reagent used in the preparation of quaternary amines and epithelial sodium channel inhibition in bronchial epithelium. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=CC=C(C=C1)CC(=O)O |
InChI: | InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
InChI Key: | GXXXUZIRGXYDFP-UHFFFAOYSA-N |
Boiling Point: | 265-267 °C |
Density: | 1.127 g/cm3 |
Appearance: | White fine crystalline powder |
MDL: | MFCD00004353 |
LogP: | 1.62210 |
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 |
CN-113461559-A | Compound, compound product, preparation method and application | 20210630 |
CN-113461560-A | Repellent, product, preparation method and application thereof | 20210630 |
CN-112592247-A | Photocatalytic continuous bromination method | 20210302 |
CN-112592247-B | Photocatalytic continuous bromination method | 20210302 |
CN-112679547-A | Preparation method of oil-soluble carboxylic acid complex | 20210107 |
PMID | Publication Date | Title | Journal |
21623499 | 20110601 | Application of isotope dilution mass spectrometry: determination of ochratoxin A in the Canadian Total Diet Study | Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment |
21623500 | 20110601 | Ochratoxin A in cocoa and chocolate sampled in Canada | Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment |
22069666 | 20100801 | Ochratoxin A in roasted coffee from French supermarkets and transfer in coffee beverages: comparison of analysis methods | Toxins |
20533339 | 20100701 | Quantitative determination of fluoxetine in human serum by high performance thin layer chromatography | Journal of separation science |
20307145 | 20100401 | Structure elucidation and inhibitory effects of self-assembled organotin(IV) esters of p-tolyl acetic acid on bacterial, fungal, brine shrimp, and potato tumor cells | Drug and chemical toxicology |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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