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Thujone Standard Mixture

SIAL/04314 - analytical standard

Synonym: α,β-Thujone; (−)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

CAS Number: 76231-76-0
Empirical Formula (Hill Notation): C10H16O
Molecular Weight: 152.23
MDL Number: MFCD00135597
Linear Formula: C10H16O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-04314-1ML-F 1 mL
 $89.60
1/EA		 Add To Favorites
45-04314-5ML-F 5 mL
 $353.00
1/EA		 Add To Favorites

 

application(s) cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
bp 84-86 °C/17 mmHg (lit.)
composition α-thujone, 90-98%
  β-thujone, 2-10%
density 0.925 g/mL at 25 °C (lit.)
description reference substance for GC
format neat
grade analytical standard
InChI 1S/2C10H16O/c2*1-6(2)10-4-8(10)7(3)9(11)5-10/h2*6-8H,4-5H2,1-3H3/t7-,8+,10-;7-,8-,10+/m01/s1
InChI key AKPBIVZAUPVDMO-APEKEWONSA-N
Quality Level 100 
refractive index n20/D 1.450
  n20/D 1.455 (lit.)
SMILES string CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2.CC(C)[C@@]34C[C@@H]3[C@H](C)C(=O)C4
storage temp. 2-8°C
technique(s) gas chromatography (GC): suitable
  HPLC: suitable
Other Notes: This compound is commonly found in plants of the genus: achillea salvia
Symbol GHS07  GHS07
Signal word Warning
Hazard statements H302
Precautionary statements P264 - P270 - P301 + P312 - P501
Hazard Codes Xn
Risk Statements 22
WGK Germany WGK 3
Flash Point(F) 152.6 °F - closed cup
Flash Point(C) 67 °C - closed cup
bp 84-86 °C/17 mmHg (lit.)
Density 0.925 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.450; n20/D 1.455 (lit.)
Storage Temp. 2-8°C
UNSPSC 85151701

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