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Merck
CN

PHL89286

(−)-α-Thujone

phyproof® Reference Substance

Synonym(s):

(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

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About This Item

Empirical Formula (Hill Notation):
C10H16O
Molecular Weight:
152.23
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
4660369
MDL number:
MFCD00001313

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Product Name

(−)-α-Thujone, phyproof® Reference Substance

product line

phyproof® Reference Substance

SMILES string

CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2

InChI

1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

InChI key

USMNOWBWPHYOEA-MRTMQBJTSA-N

grade

primary reference standard

assay

≥90.0% (GC)

manufacturer/tradename

PhytoLab

density

0.914 g/mL at 20 °C (lit.)

application(s)

food and beverages

format

neat

storage temp.

2-8°C

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General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Other Notes

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

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

147.2 °F - closed cup

flash_point_c

64 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
298906
247928
102216
121664348
115166670

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