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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

Empirical Formula (Hill Notation):
C10H16O
CAS Number:
76231-76-0
Molecular Weight:
152.23
UNSPSC Code:
85151701
NACRES:
NA.24
MDL number:
MFCD00135597
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grade

analytical standard

Quality Segment

100

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

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

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

Other Notes

This compound is commonly found in plants of the genus: achillea salvia

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

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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