3,7,11,15-Tetramethyl-2-hexadecen-1-ol

• CAS: 7541-49-3
• Catalog Number: ACM7541493
• Category: Alkenes
• Molecular Weight: 296.53
• Molecular Formula: C20H40O
• Synonyms: Phytol
• IUPAC Name: (E)-3,7,11,15-Tetramethylhexadec-2-en-1-ol
• Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
• InChI: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+
• InChI Key: BOTWFXYSPFMFNR-HMMYKYKNSA-N
• Boiling Point: 202-204 °C
• Flash Point: >230 °F
• Density: 0.85 g/mL at 25 °C(lit.)
• Appearance: Liquid
• Storage: 2-8 °C
• Assay: 0.98
• Complexity: 255
• Exact Mass: 296.307915895
• Hazard Statements: Xi
• Isomeric SMILES: CC(C)CCCC(C)CCCC(C)CCC/C(=C/CO)/C
• Monoisotopic Mass: 296.307915895
• Packaging: 100 g
• Physical State: Liquid
• pKa: 14.73±0.10(Predicted)
• Refractive Index: n20/D 1.463(lit.)
• RIDADR: UN3295 - class 3 - PG 2 - EHS - VP <= 110kPa - Hydrocarbons, liquid, n.o.s., HI: A, S (not BR)
• Safety Description: 26-36
• Storage Conditions: 2-8 °C
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 20.2 Ų

Custom Q&A

What is the molecular formula of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

The molecular formula is C20H40O.

What is the molecular weight of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

The molecular weight is 296.5 g/mol.

What are some synonyms for 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

Some synonyms include Phytol and 3,7,11,15-Tetramethylhexadec-2-en-1-ol.

What is the IUPAC name of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

The IUPAC name is (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol.

What is the InChIKey of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

The InChIKey is BOTWFXYSPFMFNR-HMMYKYKNSA-N.

What is the canonical SMILES of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

The canonical SMILES is CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C.

What is the CAS number of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

The CAS number is 7541-49-3.

What is the XLogP3-AA value of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol?

The XLogP3-AA value is 8.2.

How many hydrogen bond donor counts does 3,7,11,15-Tetramethyl-2-hexadecen-1-ol have?

It has 1 hydrogen bond donor count.

How many rotatable bond counts does 3,7,11,15-Tetramethyl-2-hexadecen-1-ol have?

It has 13 rotatable bond counts.