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PHL82669

α,β-Thujone

phyproof® Reference Substance

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Synonym(s):
(−)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Empirical Formula (Hill Notation):
C10H16O
CAS Number:
76231-76-0
Molecular Weight:
152.23
MDL number:
MFCD00135597
UNSPSC Code:
41116107
NACRES:
NA.24

grade

primary reference standard

product line

phyproof® Reference Substance

Assay

≥98.0% (GC)

manufacturer/tradename

PhytoLab

refractive index

n20/D 1.455 (lit.)

bp

84-86 °C/17 mmHg (lit.)

density

0.925 g/mL at 25 °C (lit.)

application(s)

food and beverages

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

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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

Legal Information

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

WGK

WGK 3

Flash Point(F)

No data available

Flash Point(C)

No data available

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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