Basic information
- CAS
1879-00-1- Standard SMILES
C=CC(C)CC(=O)CC(C)C- InChIKey
VUSBHGLIAQXBSW-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
dihydro tagetone has been reported in Tagetes minuta with data available.
Names & identifiers
- Preferred name
- 2,6-Dimethyloct-7-en-4-one
- IUPAC
- 2,6-dimethyloct-7-en-4-one
- English name
- 2,6-dimethyloct-7-en-4-one
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
2,6-Dimethyloct-7-en-4-oneDihydrotagetone7-Octen-4-one, 2,6-dimethyl-EINECS 217-532-6DTXSID70883766RefChem:83330DTXCID101023256217-532-6VUSBHGLIAQXBSW-UHFFFAOYSA-NDihydro Tagetone1879-00-12,6-Dimethyl-7-octen-4-one
Show more names
3,7-Dimethyl-1-octene-5-one
UKV937XSR8SCHEMBL6903513AKOS017341560DB-239581NS00046616Q67879926
Database identifiers
- CAS
1879-00-1- PubChem CID
- 102706
- DTXSID
DTXSID70883766- UNII
- UKV937XSR8
- EC Number
- 217-532-6
- Nikkaji
- J199.698C、J85.986I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,6-Dimethyloct-7-en-4-one) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 185 · 185-186 °C(Press: 780 Torr)
- Density
- 0.8354 g/cm3 · 0.8354 g/cm3(Temp: 15.5 °C)
- LogP
- 2.746 · 2.746 (est)
- EPA Substance Registry System
- 7 · 7-Octen-4-one, 2,6-dimethyl- (1879-00-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.
Warning
H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 7-Octen-4-one, 2,6-dimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Sens. 1 (97.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain 7-Octen-4-one, 2,6-dimethyl- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information7-Octen-4-one, 2,6-dimethyl-: ACTIVE
Applications
UsesA metabolite of Tagetone, an antimicrobial agent against fungi, bacteria and protozoa.
Suppliers8 total
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Compound notes
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