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89231

Sigma-Aldrich

(−)-α-Thujone

≥96.0% (GC)

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Synonym(s):
(-)-alpha-Thujone, (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Empirical Formula (Hill Notation):
C10H16O
Molecular Weight:
152.23
Beilstein/REAXYS Number:
4660369
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

≥96.0% (GC)

form

liquid

optical activity

[α]20/D −19.0±2.0°, neat

refractive index

n20/D 1.450

density

0.914 g/mL at 20 °C (lit.)

storage temp.

2-8°C

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

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This Item
PHL892868647314462
(−)-α-Thujone ≥96.0% (GC)

89231

(−)-α-Thujone

(−)-α-Thujone phyproof® Reference Substance

PHL89286

(−)-α-Thujone

α-Terpinene ≥95.0% (GC)

86473

α-Terpinene

(−)-α-Bisabolol ≥93% (GC)

14462

(−)-α-Bisabolol

refractive index

n20/D 1.450

refractive index

-

refractive index

n20/D 1.478 (lit.)

refractive index

n20/D 1.496

density

0.914 g/mL at 20 °C (lit.)

density

0.914 g/mL at 20 °C (lit.)

density

0.837 g/mL at 25 °C (lit.)

density

-

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

−20°C

storage temp.

-

form

liquid

form

-

form

liquid

form

-

optical activity

[α]20/D −19.0±2.0°, neat

optical activity

-

optical activity

-

optical activity

[α]/D -58±5°, neat

General description

(-)-α-Thujone, a monoterpene ketone found in the essential oil of Thuja occidentalis, shows potent antitumorigenic effect.

Biochem/physiol Actions

GABAA receptor antagonist.

Other Notes

Chiral building block

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

147.2 °F - closed cup

flash_point_c

64 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Regulatory toxicology and pharmacology : RTP, 58(3), 437-443 (2010-08-24)
Thujone is a natural substance found in plants commonly used in foods and beverages, such as wormwood and sage, as well as in herbal medicines. The current limits for thujone in food products are based on short-term animal studies from

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