Sinapyl alcohol

• CAS: 537-33-7
• Catalog Number: ACM537337
• Category: Alkenes
• Molecular Weight: 210.23
• Molecular Formula: C₁₁H₁₄O₄
• Synonyms: SINAPYL ALCOHOL;4-HYDROXY-3,5-DIMETHOXYCINNAMYL ALCOHOL;3,5-DIMETHOXY-4-HYDROXYCINNAMYL ALCOHOL;SINAPYL ALCOHOL, TECH., 80%;3-(3,5-Dimethoxy-4-hydroxyphenyl)-2-propen-1-ol;3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propene-1-ol;p-Synapyl alcohol;3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-ol
• Melting Point: 61-65°C(lit.)
• Hazard Statements: Xi
• RIDADR: NONH for all modes of transport
• Safety Description: 26
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of sinapyl alcohol?

The molecular formula of sinapyl alcohol is C11H14O4.

What are the synonyms of sinapyl alcohol?

The synonyms of sinapyl alcohol are Sinapic alcohol, Sinapoyl alcohol, and trans-sinapyl alcohol.

What is the molecular weight of sinapyl alcohol?

The molecular weight of sinapyl alcohol is 210.23 g/mol.

What is the IUPAC name of sinapyl alcohol?

The IUPAC name of sinapyl alcohol is 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol.

What is the InChI of sinapyl alcohol?

The InChI of sinapyl alcohol is InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+.

What is the InChIKey of sinapyl alcohol?

The InChIKey of sinapyl alcohol is LZFOPEXOUVTGJS-ONEGZZNKSA-N.

What is the canonical SMILES of sinapyl alcohol?

The canonical SMILES of sinapyl alcohol is COC1=CC(=CC(=C1O)OC)C=CCO.

What are the other identifiers for sinapyl alcohol?

Other identifiers for sinapyl alcohol include CAS numbers (20675-96-1 and 537-33-7), European Community number (664-272-8), UNII (8O6NO04SMV), ChEMBL ID (CHEMBL1800816), DSSTox Substance ID (DTXSID501314695), KEGG ID (C02325), Metabolomics Workbench ID (42198 and 124773), Nikkaji Number (J246.056D and J304.419J), Wikidata (Q418975), and Wikipedia article (Sinapyl_alcohol).

What are some computed properties of sinapyl alcohol?

Some computed properties of sinapyl alcohol include XLogP3-AA (1.3), hydrogen bond donor count (2), hydrogen bond acceptor count (4), rotatable bond count (4), exact mass (210.08920892 g/mol), monoisotopic mass (210.08920892 g/mol), topological polar surface area (58.9Ų), heavy atom count (15), and formal charge (not specified in the reference).