36151-02-7

Basic information

• Product Name: 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
• Synonyms: 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one;1-(2,6,6-Trimethyl-4-oxo-2-cyclohexene-1-yl)butane-3-ol;3-Oxo-7,8-dihydro-α-ionol;4-(3-Hydroxybutyl)-3,5,5-trimethyl-2-cyclohexen-1-one;4-(6-Oxo-2,4,4-trimethylcyclohexene-3-yl)butane-2-ol;9-Hydroxymegastigma-4-en-3-one;Blumenol C
• CAS NO: 36151-02-7
• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.31258
• EINECS: 252-892-8
• Mol File: 36151-02-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 313.7°Cat760mmHg
• Flash Point: 132.8°C
• Appearance: /
• Density: 0.951g/cm³
• Vapor Pressure: 4.25E-05mmHg at 25°C
• Refractive Index: 1.468
• PKA: 15.16±0.20(Predicted)
• CAS DataBase Reference: 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one(36151-02-7)
• EPA Substance Registry System: 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one(36151-02-7)

Safety Data

• Hazardous Substances Data: 36151-02-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3

Upstream product

• 135820-80-3 (6R,9R)-9-hydroxymegastigman-4-en-3-one 9-O-β-D-glucopyranoside 
• 1002129-85-2 foliasalacioside B₂ 
• 1002129-82-9 foliasalacioside B₁ 

Downstream Products

• 52670-94-7 3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one 

Relevant articles and documents

Structural revisions of blumenol C glucoside and byzantionoside B

The absolute stereochemistry of blumenol C glucoside and byzantionoside B was revised here as (6R,9S)- and (6R,9R)-9-hydroxymegastigman-4-en-3-one 9-O-β-D-glucopyranosides, respectively, by modified Mosher's method. The empirical rules of 13C-NMR chemical shift to determine the absolute stereochemistry of C-9 of 9-hydroxymegastigmane 9-O-β-D-glucopyranoside were also discussed.

Megastigmane glycosides from seeds of Trifolium alexandrinum

Five megastigmane glycosides have been isolated from the seeds of Trifolium alexandrinum L., of which two are known compounds, while three are new compounds showing the presence of apiofuranosyl-(1→2)-glucopyranosyl residue as a sugar moiety. The structures of the isolated compounds were established on the basis of NMR and mass spectral data.