W288101

Benzylideneacetone

≥98%, FG

• Synonym(s): Benzalacetone, 4-Phenylbut-3-en-2-one, Benzylideneacetone, Methyl styryl ketone
• Linear Formula: C₆H₅CH=CHCOCH₃
• CAS Number: 122-57-6
• Molecular Weight: 146.19
• FEMA Number: 2881
• Beilstein/REAXYS Number: 742047
• EC Number: 204-555-1
• Council of Europe no.: 158
• MDL number: MFCD00008779
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901370
• Flavis number: 7.024
• NACRES: NA.21
• organoleptic: anise; cinnamon; jam; balsamic; spicy; floral; sweet
• grade: FG; Halal; Kosher
• biological source: synthetic
• agency: meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 872/2012; FDA 21 CFR 172.515
• vapor pressure: 0.01 mmHg ( 25 °C)
• assay: ≥98%
• bp: 260-262 °C (lit.)
• mp: 39-42 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: anise; cinnamon; jam; balsamic; spicy; floral; sweet
• SMILES string: [H]\C(=C(\[H])c1ccccc1)C(C)=O
• InChI: 1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
• InChI key: BWHOZHOGCMHOBV-BQYQJAHWSA-N

Description

General description

Benzylideneacetone is used in the fragrance industry for its sweet pea-like odor. It is one of the major constituents of Monanthotaxis capea essential oil. Studies suggest that apart from skatole and androstenone, benzylideneacetone may also be one of the volatile compounds, which contributes to the development of boar taint in fat samples.

Biochem/physiol Actions

Taste at 5-10 ppm

Other Notes

Natural occurrence: Soybeans and Virginia tobacco.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H317
• pcodes: P261 - P264 - P272 - P280 - P302 + P352 - P333 + P313
• Hazard Classifications: Skin Irrit. 2 - Skin Sens. 1
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: 253.4 °F - closed cup
• flash_point_c: 123 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves