Methyl 2,6-dihydroxy-4-methylbenzoate - CAS 16846-10-9
Catalog: |
BB012473 |
Product Name: |
Methyl 2,6-dihydroxy-4-methylbenzoate |
CAS: |
16846-10-9 |
Synonyms: |
methyl 2,6-dihydroxy-4-methylbenzoate |
IUPAC Name: | methyl 2,6-dihydroxy-4-methylbenzoate |
Description: | Methyl 2,6-dihydroxy-4-methylbenzoate (CAS# 16846-10-9) is a useful research chemical. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | CC1=CC(=C(C(=C1)O)C(=O)OC)O |
InChI: | InChI=1S/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3 |
InChI Key: | RIJMQNGJNNAAQK-UHFFFAOYSA-N |
Boiling Point: | 277.7 °C at 760 mmHg |
Melting Point: | 96-98 °C (lit.) |
Purity: | 95 % |
Density: | 1.296 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00012063 |
LogP: | 1.19280 |
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 |
WO-2019156093-A1 | Rubber composition and tire | 20180207 |
WO-2019156094-A1 | Rubber composition and tire | 20180207 |
JP-WO2019156093-A1 | Rubber composition and tires | 20180207 |
JP-WO2019156094-A1 | Rubber composition and tires | 20180207 |
EP-3495415-A1 | Rubber composition, tire, additive, and hydrazide compound | 20160804 |
PMID | Publication Date | Title | Journal |
15270571 | 20040701 | Cytotoxic and antimicrobial constituents of the bark of Diospyros maritima collected in two geographical locations in Indonesia | Journal of natural products |
12168760 | 20020801 | Composition of volatile oil of Primula obconica in Central China | Natural product letters |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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