1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone - CAS 88-29-9
Catalog: |
BB057540 |
Product Name: |
1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone |
CAS: |
88-29-9 |
Synonyms: |
3'-Ethyl-5',6',7',8'-tetrahydro-5',5',8',8'-tetramethyl-2'-acetonaphthone; Versalide; 1-(3-Ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethanone; 1,1,4,4-Tetramethyl-6-ethyl-7-acetyltetralin; NSC 15342 |
IUPAC Name: | 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone |
Description: | 1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is used in the study of temperature dependence of retention index for perfumery compounds on glass capillary column. It is also used in biological studies. |
Molecular Weight: | 258.4 |
Molecular Formula: | C18H26O |
Canonical SMILES: | CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C |
InChI: | InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3 |
InChI Key: | KSEZPRJUTHMFGZ-UHFFFAOYSA-N |
Melting Point: | 42-44°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C |
References: | Tudor, Ecaterina., Journal of Chromatography A, 779, 287-297 (1997). |
GHS Hazard Statement: | H301: Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P316, P302+P352, P316, P319, P321, P330, P361+P364, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
15537743 | 20050201 | Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays | Toxicological sciences : an official journal of the Society of Toxicology |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.198365449 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.198365449 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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