125555-67-1

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• Basic information

  1. Product Name: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one
  2. Synonyms: (+)-Harveynone;(+)-PT-toxin;(4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one;5β,6β-Epoxy-4α-hydroxy-2-(3-methyl-3-buten-1-ynyl)-2-cyclohexen-1-one;(4R)-4β-Hydroxy-5α,6α-epoxy-2-(3-methylbutane-1-yne-3-ene-1-yl)-2-cyclohexene-1-one
  3. CAS NO:125555-67-1
  4. Molecular Formula: C11H10 O3
  5. Molecular Weight: 190.1953
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 125555-67-1.mol
  9. Article Data: 4

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 389.4°Cat760mmHg
  3. Flash Point: 159°C
  4. Appearance: /
  5. Density: 1.29g/cm³
  6. Vapor Pressure: 1.13E-07mmHg at 25°C
  7. Refractive Index: 1.586
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. CAS DataBase Reference: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one(CAS DataBase Reference)
  11. NIST Chemistry Reference: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one(125555-67-1)
  12. EPA Substance Registry System: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one(125555-67-1)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 125555-67-1(Hazardous Substances Data)

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• (1S,2R,6S)-2-hydroxy-4-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one

  Cas No: 125555-67-1

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125555-67-1 Usage

General Description

The chemical compound (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one is a complex organic molecule with a cyclohexene ring and multiple functional groups, including a hydroxyl group and an epoxy group. It is also functionalized with a butene-1-ynyl group, which consists of a butene chain with a triple bond at the first carbon and a methyl group at the third carbon. (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one has potential applications in organic synthesis, as well as in pharmacology and medicinal chemistry, due to its unique structure and reactivity. Further research and analysis are needed to fully understand the properties and potential uses of this compound.

Check Digit Verification of cas no

The CAS Registry Mumber 125555-67-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,5,5,5 and 5 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 125555-67:
(8*1)+(7*2)+(6*5)+(5*5)+(4*5)+(3*5)+(2*6)+(1*7)=131
131 % 10 = 1
So 125555-67-1 is a valid CAS Registry Number.

InChI:InChI=1/C11H10O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h5,8,10-12H,1H2,2H3/t8-,10+,11-/m1/s1

125555-67-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name	(1S,2R,6S)-2-hydroxy-4-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one

1.2 Other means of identification

Product number	-
Other names	(1S,2R,6S)-2-Hydroxy-4-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo(4.1.0)hept-3-en-5-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:125555-67-1 SDS

125555-67-1Upstream product

• 792910-34-0 C₂₀H₃₀O₅Si 
• 792910-35-1 Acetic acid (1R,2S,6R)-4-(tert-butyl-dimethyl-silanyloxymethyl)-5-oxo-7-oxa-bicyclo[4.1.0]hept-3-en-2-yl ester 
• 792910-36-2 (1R,5S,6R)-3-(tert-Butyl-dimethyl-silanyloxymethyl)-5-hydroxy-7-oxa-bicyclo[4.1.0]hept-3-en-2-one 
• 174156-50-4 (2R,3S,4S)-4-tert-butyldimethylsilyloxy-2,3-epoxy-6-hydroxymethyl-5-cyclohexen-1-one 
• 1391563-99-7 C₁₄H₂₂O₃Si 
• 1391563-95-3 C₁₃H₂₂O₄Si 
• 1391563-94-2 C₁₃H₂₄O₄Si 
• 1391563-91-9 C₁₉H₃₆O₄Si₂ 
• 313547-95-4 (3R,4R,5R)-3-[(tert-butyl-dimethylsilyl)oxy]-4,5-(isopropylidenedioxy)-1-cyclohexanone 
• 74293-60-0 (3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydrobenzo[d][1,3]dioxol-5(6H)-one 
• 188308-06-7 (2R,3S,4S)-4-[(tert-Butyldimethylsilyl)oxy]-2,3-epoxy-6-iodo-5-cyclohexen-1-one 
• 188308-05-6 (2R,3S,4S)-4-[(tert-Butyldimethylsilyl)oxy]-2,3-epoxy-5-cyclohexen-1-one 
• 188308-08-9 (2R,3S,4S)-4-[(tert-Butyldimethylsilyl)oxy]-2,3-epoxy-6-(3-methylbut-3-en-1-ynyl)-5-cyclohexen-1-one 

125555-67-1Downstream Products

125555-67-1Relevant articles and documents

Enantioselective syntheses of bioactive epoxyquinone natural products (+)-harveynone and (-)-asperpentyn

Mehta, Goverdhan,Roy, Subhrangsu,Pan, Subhas Chandra

, p. 4093 - 4095 (2012/09/07)

Stereo- and enantioselective syntheses of (+)-harveynone and (-)-asperpentyn are reported.

Absolute configuration of (+)-PT-toxin: Enantiodivergent synthesis of (+)- and (-)-PT-toxins

Kamikubo, Takashi,Ogasawara, Kunio

, p. 69 - 72 (2007/10/03)

Absolute configuration of (+)-PT-toxin, isolated from the tea gray blight fungi, Pestalotiopsis longiseta and Pestalotiopsis theae, has been determined unambiguously by enantiocontrolled synthesis of both enantiomers starting from the common chiral-building block.

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