AG003CW2

21145-77-7 | 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl);ethanone

AG003CW2

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CAS Number	21145-77-7
Catalog Number	AG003CW2(AGN-PC-0WAFY4)
Chemical Name	1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl);ethanone
IUPAC Name	1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
InChI	InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChI Key	DNRJTBAOUJJKDY-UHFFFAOYSA-N
MDL Number	MFCD00437355
Molecular Formula	C18H26O
Molecular Weight	258.3984
NSC Number	19550
SMILES	O=C(C=1C=C2C(=CC1C)C(C)(C)C(C)CC2(C)C)C
Synonyms	7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene, acetyl methyl tetramethyl tetralin, AHTN musk fragrance, fixolide, Tonalid, Tonalide, Tonalid, 21145-77-7, Tonalide, 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone, 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, 1506-02-1, Acetyl hexamethyl tetralin, AHTN, Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-, Tentarome, Tetralide, Musk tonalid, AHMT (perfume), AHMT, acetyl methyl tetramethyl tetralin, EINECS 216-133-4, NSC 19550, 7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene, fixolide, 7-Acetyl-1,1,3,4,4,6-hexamethyltetralin, CHEBI:88666, DNRJTBAOUJJKDY-UHFFFAOYSA-N, 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one, EINECS 244-240-6, 7-Acetyl-1,1,3,4,4,6-hexamethyltetrahydronaphthalene, AK-72913, AI3-28517, W-107569, W-109114, 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone, 6-Acetyl-1,1,2,4,4,7-hexamethyl-1,2,3,4-tetrahydronaphthalene, 2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene, 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one, 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethan- one, 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-, 1-(1,1,2,4,4,7-hexamethyltetralin-6-yl)ethanone, CCRIS 8403, AHTN (Tonalide), AC1L3HVI, 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethanone, EC 216-133-4, AC1Q5D0Z, DSSTox_CID_21544, DSSTox_RID_79772, DSSTox_GSID_41544, KSC492C4B, SCHEMBL110818, CCRIS 8496, Jsp004326, CHEMBL3184267, DTXSID7041544, CTK3J2140, HSDB 7515, AHTN 10 microg/mL in Cyclohexane, KS-00000HC4, KS-00000ZD4, NSC19550, Tox21_301256, BBL018868, MFCD00437355, NSC-19550, STL195398, AKOS015920154, GS-4166, MCULE-5128561438, NCGC00255431-01, AN-17860, AN-19712, BR-72913, LS-67597, LS-67598, AX8157828, CAS-21145-77-7, RT-000301, TR-009939, 4CH-007834, 6-acetyl-1,1,2,4,4,7-hexamethyltetraline, FT-0675293, FT-0688135, ST24026857, W4412, EC 244-240-6, S-5529, 145T777, 7-Acetyl-1,3,4,4,6-hexamethyltetrahydronaphthalene, 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, >=98%, 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, AldrichCPR, 7-Acetyl-1,1,3,4,4,6-hexamethyl-tetra-hydronaphtalene, 7-Acetyl-1,1,3,4,4,6-hexamethyltetra-hydronaphtalene, 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, analytical standard, 1,1,3,4,4,6-Hexamethyl-7-acetyl-1,2,3,4-tetrahydronaphthalene, 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethanone #, 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-ethanone, 2'-Acetonaphthone,6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-, Ethanone,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VA, (+/-)-1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-ethanone, 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl- (VAN), 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl- (VAN) (8CI), Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VAN), Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VAN) (9CI), AHTN musk fragrance, UNII-360Q8Z01IP, C18H26O, 360Q8Z01IP, KST-1B1748, CID89440, AR-1B1264, C18-H26-O, C033116, Ethanone, 1-(5,6,7,8-tetrahydro-3,5, 5,6,8,8-hexamethyl-2-naphthalenyl)-, 21675-38-7, AHTN (7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene), Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-, 1 - (5,6,7,8 - tetrahydro - 3,5,5,6,8,8 - hexamethyl - 2 - naphthyl)ethan - 1 - one, 1- (5, 6, 7, 8- tetrahydro- 3, 5, 5, 6, 8, 8- hexamethyl- 2- naphthyl)ethan- 1- one, 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one (Fixolid),

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.198g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.405g/mol
Monoisotopic Mass	258.198g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number