Alpha-Bisabolol

• CAS: 515-69-5
• Catalog Number: ACM515695
• Category: Main Products
• Molecular Weight: 222.37
• Molecular Formula: C15H26O
• Synonyms: 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepteno
• IUPAC Name: (2R)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
• Canonical SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
• InChI: InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1
• InChI Key: RGZSQWQPBWRIAQ-LSDHHAIUSA-N
• Boiling Point: 154-156 °C
• Melting Point: 25 °C
• Flash Point: 135 °C
• Density: 0.93 g/mL at 20 °C(lit.)
• Solubility: Soluble in alcohol, natural mineral, synthetic oils, insoluble in water
• Appearance: Cear colourless liquid
• Storage: Refrigerator
• Complexity: 284
• EC Number: 208-205-9
• Exact Mass: 222.198365449
• HS Code: 29061900
• Isomeric SMILES: CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
• LogP: 4.23020
• Monoisotopic Mass: 222.198365449
• Physical State: Liquid
• pKa: 15.04±0.29(Predicted)
• PSA: 2.23
• Refractive Index: n20/D 1.496
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
• Storage Conditions: Keep tightly closed. Store in a cool dry place.
• Topological Polar Surface Area: 20.2 Ų
• WGK Germany: 2

Custom Q&A

What is the molecular formula of alpha-Bisabolol?

The molecular formula of alpha-Bisabolol is C15H26O.

What are some synonyms for alpha-Bisabolol?

Some synonyms for alpha-Bisabolol are Bisabolol and (+)-alpha-Bisabolol.

What is the molecular weight of alpha-Bisabolol?

The molecular weight of alpha-Bisabolol is 222.37 g/mol.

Is alpha-Bisabolol a natural product?

Yes, alpha-Bisabolol is a natural product found in Eupatorium altissimum, Psidium guajava, and other organisms.

What is the IUPAC name of alpha-Bisabolol?

The IUPAC name of alpha-Bisabolol is (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol.

What is the InChI key of alpha-Bisabolol?

The InChI key of alpha-Bisabolol is RGZSQWQPBWRIAQ-LSDHHAIUSA-N.

What is the canonical SMILES representation of alpha-Bisabolol?

The canonical SMILES representation of alpha-Bisabolol is CC1=CCC(CC1)C(C)(CCC=C(C)C)O.

What is the CAS number of alpha-Bisabolol?

The CAS number of alpha-Bisabolol is 23178-88-3.

What is the UNII number of alpha-Bisabolol?

The UNII number of alpha-Bisabolol is 105S6I733Z.

Is alpha-Bisabolol listed in Wikipedia?

Yes, alpha-Bisabolol is listed in Wikipedia.