04314
Thujone Standard Mixture
analytical standard
Synonym(s):
α,β-Thujone, (−)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
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About This Item
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
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
InChI key
AKPBIVZAUPVDMO-APEKEWONSA-N
grade
analytical standard
description
reference substance for GC
composition
α-thujone, 90-98% , β-thujone, 2-10%
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
refractive index
n20/D 1.450, n20/D 1.455 (lit.)
bp
84-86 °C/17 mmHg (lit.)
density
0.925 g/mL at 25 °C (lit.)
application(s)
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
format
neat
storage temp.
2-8°C
Quality Level
Other Notes
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
152.6 °F - closed cup
flash_point_c
67 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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