Basic information
- CAS
141-10-6- Standard SMILES
CC(=O)C=CC=C(C)CCC=C(C)C- InChIKey
JXJIQCXXJGRKRJ-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- (3E,5E)-6,10-dimethyl-2-undeca-3,5,9-trienone
- IUPAC
- 6,10-dimethylundeca-3,5,9-trien-2-one
- English name
- PSEUDOIONONE
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
(3E,5E)-6,10-dimethyl-2-undeca-3,5,9-trienoneSCHEMBL372460orb3023464AKOS0302413165,9-undecatrien-2-one,6,10-dimethyl-32 6-dimethylhendeca-2 6 8-trien-10-one2,6-Dimethyl-2,6,8-undecatriene-10-oneDB-0425473,5,9-Undecatrien-2-one,6,10-dimethyl-6,10-dimethyl-undeca-3,5,9-trien-2-oneNS000773402,6-Dimethyl-2,6,8-undecatrien-10-one 100 microg/mL in Acetonitrile
Show more names
2,6-Dimethylundeca-2,6,8-triene-10-one3,5,9-Undecatrien-2-one, 6,10-dimethyl-6,10-dimethylundeca-3,5,9-trien-2-one6,10-Dimethyl-3,5,9-undecatrien-2-one (Pseudoionone)Ai3-221311141-10-6PSI-IONONEPseudojononPSEUDOIONONEEinecs 205-457-1
Database identifiers
- CAS
141-10-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Kovats Retention Index
1507.9；1557.6；1550；1556
1527；1581；1581；1593
1976；2045；2008
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 114 · 114-116 °C2 mm Hg(lit.)
- Density
- 0.9 g/mL · 0.90 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.53
- FEMA
- 4299 · 4299 | PSEUDOIONONE
- FLAVIS Number
- 7.198 · 07.198 | Pseudo-ionone
- Flash point
- 84 ℃ · 84℃
- form
- liquid
- Odor
- 100 % · at 100.00 %. sweet waxy citrus floral balsamic dry dusty powdery spicy
- Odor Type
- balsamic
- Water Solubility
- 97 mg/L · 97mg/L at 25℃
- JECFA Number
- 2187 · 2187
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- YQ2833700
- Toxicity
- rabbit,LDLo,skin,5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 26, Pg. 311, 1988.
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H411-H315-H317
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
OccurrenceNot.reported.found.in.nature.
UsesPerfumery, cosmetics.
Preparation methods
PreparationPseudo-ionone can be prepared from citric acid and acetone. The product with lower purity can be obtained by treating with lemongrass and acetone, bleaching powder, cobalt nitrate and ethanol.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers58 total
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
3 records
Compound notes
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