o-Tolylacetic acid - CAS 644-36-0
Catalog: |
BB032467 |
Product Name: |
o-Tolylacetic acid |
CAS: |
644-36-0 |
Synonyms: |
2-(2-methylphenyl)acetic acid |
IUPAC Name: | 2-(2-methylphenyl)acetic acid |
Description: | o-Tolylacetic acid (CAS# 644-36-0) is a ring-substituted phenylacetic acid with auxin activity used as a plant growth regulator. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=CC=CC=C1CC(=O)O |
InChI: | InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
InChI Key: | RZWGTXHSYZGXKF-UHFFFAOYSA-N |
Boiling Point: | 279.3 °C at 760 mmHg |
Melting Point: | 87-90 °C |
Density: | 1.127 g/cm3 |
Appearance: | White to slightly cream crystalline powder |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004328 |
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-113480566-A | Organic silicon monomer containing diphenylmethane and ultrahigh-refractive-index semiconductor LED packaging material prepared from organic silicon monomer | 20210722 |
CN-113429757-A | Biodegradable anti-fogging master batch for mulching film and preservative film | 20210708 |
CN-113419023-A | Thin layer chromatography detection method of exogenous mixture II | 20210610 |
CN-113308705-A | Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate | 20210531 |
CN-112679547-A | Preparation method of oil-soluble carboxylic acid complex | 20210107 |
PMID | Publication Date | Title | Journal |
17542573 | 20070628 | Synthesis and preliminary biological characterization of new semisynthetic derivatives of ramoplanin | Journal of medicinal chemistry |
12028643 | 20020501 | Immunoaffinity column clean-up and thin layer chromatography for determination of ochratoxin A in green coffee | Food additives and contaminants |
Complexity: | 143 |
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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