Basic information
- CAS
6138-85-8- Standard SMILES
CC(=O)CCC1C(C)CCCC1(C)C- InChIKey
PQCDGQHNORPNBR-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Overview
Tetrahydroionone is a sesquiterpenoid.
Names & identifiers
- Preferred name
- 4-(2,6,6-Trimethylcyclohexyl)butan-2-one
- IUPAC
- 4-(2,2,6-trimethylcyclohexyl)butan-2-one
- English name
- 4-(2,2,6-TRIMETHYLCYCLOHEXYL)-2-BUTANONE
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
Tetrahydroionone2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-EINECS 228-122-1AI3-346394-(2,6,6-Trimethylcyclohexyl)butan-2-oneRefChem:5107959-Apo-5,6,7,8,-tetrahydro-beta-caroten-9-one228-122-16138-85-84-(2,2,6-Trimethylcyclohexyl)-2-butanone4-(2,2,6-trimethylcyclohexyl)butan-2-oneMFCD00045490
Show more names
Tetrahydro-retro-iononeTetrahydro-retro-γ-ionone4-(2,2,6-trimethylcyclohexyl)-2-butanon4-(2,2,6-Trimethylcyclohexyl)-2-butanone, cis + trans, 98%
SCHEMBL1149570CHEBI:211745GAA13885AKOS006230098DB-0538614-(2,2,6-trimethylcyclohexyl)-butan-2-oneCS-0236123NS00046063
Database identifiers
- CAS
6138-85-8- PubChem CID
- 110787
- ChEBI
CHEBI:211745- EC Number
- 228-122-1
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 235 ℃ · 235℃
- color
- Almost colorless oily liquid
- Odor
- unquestionable CedarWood-like odor
- Water Solubility
- Practically insoluble in water
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesApart from occasional use in special variations of the Ionone themes and as a supporting note in perfumes with Ambre emphasis,Tetrahydroionone has very little importance.
Preparation methods
PreparationTetrahydroionone is produced by controlled hydrogenation of Ionone (alpha- or beta-) with a Platinum catalyst. Complete hydrogenation may lead to the alcohol (Tetrahydro ionol).
Suppliers14 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海乔木化学科技有限公司021-60451683 15021268886 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
成都佶安特生物医药科技有限公司请加QQ询价！ · [email protected]
Related reactions
4 records
Compound notes
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