CAS number
599-45-1

Molecular formula
C14H22O

SMILES
C[C@H]1CC=C([C@@H](C1(C)C)/C=C/C(=O)C)C

woody	90.31%
floral	83.35%
sweet	81.68%
violet	71.95%
powdery	62.41%
orris	60.55%
berry	59.41%
fruity	54.0%
dry	44.09%
tobacco	41.27%

Scent© AI

XLogP3-AA
3.2 Well soluble in DEP, BB, IAA

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

• (+)-trans-alpha-Irone
• alpha-Irone, trans-(+)-
• D-trans-alpha-Irone [MI]
• UNII-0VYC084P5B
• 0VYC084P5B
• (+)-(2S,6S)-trans-alpha-Irone
• XP1843QRAT
• 599-45-1
• 3-Buten-2-one, 4-((1S,5S)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-
• 90242-81-2
• (E)-4-[(1S,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one
• C11350
• 3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-rel-
• DL-trans-alpha-Irone
• AC1NQZ9U
• UNII-XP1843QRAT
• (+/-)-trans-alpha-Irone
• DL-trans-alpha-Irone [MI]
• alpha-Irone, trans-(+/-)-
• CHEBI:62
• SureCN9384604
• SCHEMBL9384604
• DL-TRANS-.ALPHA.-IRONE
• DTXSID70415203
• (+)-TRANS-.ALPHA.-IRONE
• D-TRANS-.ALPHA.-IRONE [MI]
• (+/-)-TRANS-.ALPHA.-IRONE
• .ALPHA.-IRONE, TRANS-(+)-
• DL-TRANS-.ALPHA.-IRONE [MI]
• .ALPHA.-IRONE, TRANS-(+/-)-
• (+)-(2S,6S)-TRANS-.ALPHA.-IRONE
• Q27105217