(E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE

CAS No.
127-41-3 ;8013-90-9
CCD No.
CCD00001529
Formula
C13H20O
MolWeight
192.3

Basic Information

Product Name: (E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
CAS: 127-41-3 ;8013-90-9
English Synonyms: A-IONONE ; (3E)-4-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)BUT-3-EN-2-ONE ; (E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE ; ALPHA-IONONE ; IONONE, ALPHA- ; 4-(2,6,6-TRIMETHYL-1-CYCLOHEX-2-ENYL)BUT-3-EN-2-ONE ; 4-(2,6,6-TRIMETHYL-2-CYCLOHEXENYL)-3-BUTEN-2-ONE ; FEMA 2594 ; 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE ; FERMENTA BERRY ; IRISONE ALPHA ; ALPHA-JONONE ; IONONE (ALPHA- BETA- MIXTURE) ; 4-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-3-EN-2-ONE ; ALPHA-CYCLOCITRYLIDENEACETONE
MDL Number.: MFCD00001565
H bond acceptor: 1
H bond donor: 0
Smile: CC(=O)\C=C\C1C(C)=CCCC1(C)C
InChi: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChiKey: InChIKey=UZFLPKAIBPNNCA-BQYQJAHWSA-N

Property

Boiling Point: 259-263 DEG C(LIT)
Density: 0.93g/mLat25°C(lit.)
Physical Property: FLASHPOINT: 118 DEG C
FLASHPOINT: 244.4 DEG F
REFRACTIVE INDEX: N20/D 1.498(LIT)
Comments: ALLERGEN: NO KNOWN ALLERGENS
ORIGINAL SKU: W259411-100G-K
ORIGINAL SKU: W259411-1KG-K
ORIGINAL SKU: W259411-25G-K
ORIGINAL SKU: W259411-SAMPLE-K
RTECS: EN0525000
UNSPSC: 12164500
WGK: 2
Specification: NATURAL (US)

Safety information

Symbol: GHS08 GHS08
Signal word: Danger
Hazard statements: H334
Precautionary statements: P261-P342 + P311
hazard symbol: Xn
Risk Code: R:42
Safe Code: S:36
WGK Germany: 2

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