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Key Documents

Safety Information

04314

Supelco

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:
Molecular Weight:
152.23
MDL number:
UNSPSC Code:
85151701
NACRES:
NA.24

grade

analytical standard

Quality Level

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

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Other Notes

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

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

152.6 °F - closed cup

Flash Point(C)

67 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

04314-VAR-F:
04314-BULK-F:
04314-1ML-F:
04314-5ML-F:


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