Basic information
- CAS
54464-59-4- Standard SMILES
CC(=O)C1(C)CC2=C(CC1C)C(C)(C)CCC2- InChIKey
LCZYWDBISQLZSE-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)ethanone
- IUPAC
- 1-(2,3,5,5-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)ethanone
- English name
- 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthyl)ethan-1-one
- Molecular formula
- C16H26O
- Molecular weight
- 234.38
Names & synonyms
54464-59-4Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-DTXSID50522001-(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)ethanoneRefChem:1053694DTXCID7030771259-175-91-(2,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethan-1-one1-(2,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanoneEINECS 259-175-91-(Octahydro-2,3,5,5-tetramethyl-2-naphthyl)ethan-1-one1-(2,3,5,5-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)ethanone
Show more names
1-[(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethylnaphthalen)-2-yl]ethanoneEthanone,1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-
SCHEMBL3505752LCZYWDBISQLZSE-UHFFFAOYSA-NEINECS 269-753-21-(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethyl-2-naphthyl)ethan-1-one1I005A969MNS00019527Q272524392,3,5,5-TETRAMETHYL-2- ACETYL-1,2,3,4,5,6,7,8-OCTAHYDRONAPHTHALENES
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 312.2 · 312.2±31.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMINGFRAGRANCESKIN CONDITIONING - MISCELLANEOUS
- LogP
- 5.001 · 5.001 (est)
- EPA Substance Registry System
- 1 · Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)- (54464-59-4)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H411-H317
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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 69.2% (36 of 52) of all reports.
Warning
H315 (30.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationChemical: Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-
Other Safety InformationIMAP assessments - Isomers of octahydro tetramethyl naphthalenyl ethanone (OTNE): Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (30.8%)
Skin sensitisation - category 1B
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H411-H317
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 130 consumer products that contain Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationEthanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-: ACTIVE
Applications
DescriptionTetramethyl Acetyloctahydronaphthalenes is a mixture of isomers
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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