Basic information
- CAS
88-29-9- Standard SMILES
CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C- InChIKey
KSEZPRJUTHMFGZ-UHFFFAOYSA-N- Molecular formula
- C18H26O
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.19836545
Overview
musk fragrance in soaps & cosmetics; structure
Names & identifiers
- Preferred name
- 7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin
- IUPAC
- 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
- English name
- Versalide
- Molecular formula
- C18H26O
- Molecular weight
- 258.4
Names & synonyms
Versalide88-29-9AETTMusk 36AAcetylethyltetramethyltetralin7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralinBM2DT9GHFQMUSK-36ADTXSID3041582Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-6-Acetyl-1,1,4,4-tetramethyl-7-ethyl-1,2,3,4-tetralinNSC-15342
Show more names
VersalideRVersalide (Givaudan-Delawanna)Nsc15342ACETYLATEDTETRAMETHYLTETRALINTETRAMETHYLETHYLACETYLTETRAHYDRONAPHTHALENE7-ACETYL-1,1,4,4-TETRAMETHYL-6-ETHYLTETRAHYDRONAPHTHALENE
2'-ACETONAPHTHONE, 3'-ETHYL-5',6',7',8'-TETRAHYDRO-5',5',8',8'-TETRAMETHYL-1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethanoneacetyl ethyltetramethyltetralinRefChem:194050DTXCID1021582201-817-7acetyl ethyl tetramethyl tetralin1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Database identifiers
- CAS
88-29-9
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
FragrancesFragrance substance (Acetyl ethyl tetramethyl tetralin (AETT)) -> IFRA amendment 40
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 46.5 ° · 46.5°
- Boiling point
- 2 · bp2 130°
- Density
- 0.9947 · 0.9947 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Odor
- 10 % · at 10.00 % in dipropylene glycol. sweet intense musk ambrette macrocyclic
- Odor Type
- musk
- Water Solubility
- 12 ug/L · 12ug/L(temperature not stated)
- LogP
- 5.037 · 5.037 (est)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+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.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity (ingestion) - category 3
Safety data
- tsca
- TSCA listed
- Toxicity
- Primarily of historic interest, AETT was originally used in fragrance preparations but was withdrawn from commercial use due to a number of behavioral and morphological neurotoxic effects.
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
Acetyl ethyl tetramethyl tetralin (AETT)
7-Acetyl-6-ethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene; Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-; Versalide (commercial name)
IFRA_STD_103.pdf
40
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing InformationEthanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-: INACTIVE
Applications
UsesVersalide is used as musk for perfumes, cosmetics, soaps.
Preparation methods
PreparationVersalide is prepared from Ethylbenzene plus 2,5-Dichloro -2,5-dimethylhexane. (Carpenter, U.S. pat. 2,897,237, 28th July 1959).
Suppliers4 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…