Coniferyl alcohol - CAS 458-35-5
Catalog: |
BB025987 |
Product Name: |
Coniferyl alcohol |
CAS: |
458-35-5 |
Synonyms: |
Phenol, 4-(3-hydroxy-1-propen-1-yl)-2-methoxy-; 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl)-; 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenol; Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-; 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenol; 3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol; 3-(p-Hydroxy-m-methoxyphenyl)-2-propen-1-ol; 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol; 4-Hydroxy-3-methoxycinnamyl alcohol; Coniferol; p-Hydroxy-m-methoxycinnamyl alcohol; γ-Hydroxyisoeugenol |
Related CAS: | 32811-40-8 (E-isomer)
|
IUPAC Name: | 4-(3-hydroxyprop-1-enyl)-2-methoxyphenol |
Description: | Coniferyl alcohol, an intermediate in biosynthesis of eugenol, stilbenoids and coumarin, specifically inhibits fungal growth. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C=CCO)O |
InChI: | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3 |
InChI Key: | JMFRWRFFLBVWSI-UHFFFAOYSA-N |
Boiling Point: | 164°C |
Melting Point: | 74°C |
Purity: | 95% |
Density: | 1.198±0.06 g/cm3 |
Solubility: | Soluble in Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Light Yellow Solid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00002922 |
LogP: | 1.40630 |
Vapor Pressure: | 0.0000088 [mmHg] |
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-113416317-A | A method for separating C-type lignin and G/S-type lignin from seed coat of Euphorbiaceae plant | 20210824 |
CN-113264805-A | Cellulose modified polyurethane coated fertilizer and preparation method and application thereof | 20210623 |
CN-113265067-A | Preparation method of lignin-based polyol | 20210616 |
CN-113333031-A | Preparation method and application of nano bismuth chromate-MOFs composite material | 20210615 |
CN-113180183-A | Steamed dumpling and preparation method thereof | 20210527 |
PMID | Publication Date | Title | Journal |
29968805 | 20180703 | Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics | Scientific reports |
29222099 | 20180215 | Isolation of the (+)-Pinoresinol-Mineralizing Pseudomonas sp. Strain SG-MS2 and Elucidation of Its Catabolic Pathway | Applied and environmental microbiology |
23756190 | 20130901 | Three new secoiridoids, swermacrolactones A-C and anti-hepatitis B virus activity from Swertia macrosperma | Fitoterapia |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22984124 | 20121101 | Impact of the absence of stem-specific β-glucosidases on lignin and monolignols | Plant physiology |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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