AG003VGJ

713-95-1 | 6-Heptyltetrahydro-2H-pyran-2-one

AG003VGJ

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CAS Number	713-95-1
Catalog Number	AG003VGJ(AGN-PC-0JKATL)
Chemical Name	6-Heptyltetrahydro-2H-pyran-2-one
EC Number	211-932-4
FEMA Number	2401
IUPAC Name	6-heptyloxan-2-one
InChI	InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
InChI Key	QRPLZGZHJABGRS-UHFFFAOYSA-N
MDL Number	MFCD00006651
Molecular Formula	C12H22O2
Molecular Weight	198.3019
SMILES	CCCCCCCC1CCCC(=O)O1
Synonyms	DELTA-DODECALACTONE, 713-95-1, 5-Dodecanolide, 6-Heptyltetrahydro-2H-pyran-2-one, delta-Dodecanolactone, Dodecan-5-olide, 5-Dodecalactone, 2H-Pyran-2-one, 6-heptyltetrahydro-, Dodecanolide-1,5, 5-Hydroxydodecanoic acid lactone, n-Heptyl-delta-valerolactone, 6-heptyloxan-2-one, delta-Heptyl-delta-valerolactone, delta-Dodecalactone (natural), FEMA No. 2401, HSDB 292, .delta.-Dodecalactone, Dodecanoic acid, 5-hydroxy-, delta-lactone, EINECS 211-932-4, AI3-36030, MFCD00006651, 5-Hydroxydodecanoic acid delta-lactone, W-109596, 6-heptyl-3H-4,5,6-trihydropyran-2-one, delta-Laurolactone, 1,5-dodecanolide, xi-5-Dodecanolide, (S)-6-Heptyltetrahydro-2H-pyran-2-one, Delta Dodecalactone, 6-heptyl-2-oxanone, ACMC-20mbxj, 2H-Pyran-2-one, 6-heptyltetrahydro-, (S)-, 5-Dodecanolide 99%, 5-Dodecanolide, 99%, Nat. Delta Dodecalactone, (+/-)-5-Dodecanolide, EC 211-932-4, AC1L20HD, delta-DODECALACTONE FCC, 6-heptyltetrahydropyran-2-one, SCHEMBL114922, n-Heptyl-.delta.-valerolactone, 6-Heptyl-tetrahydropyran-2-one, DTXSID9047596, 6-heptyl-tetrahydro-pyran-2-one, QRPLZGZHJABGRS-UHFFFAOYSA-, dl-6-heptyltetrahydropyran-2-one, QRPLZGZHJABGRS-UHFFFAOYSA-N, delta-Dodecalactone, >=97%, FG, BB_NC-02030, ZX-AT004880, 2H-Pyran-2-one,6-heptyltetrahydro-, BBL027600, LMFA07040040, OR6022, SBB071496, STL373783, .delta.-Heptyl-.delta.-valerolactone, 2H-Pyran-2-one, tetrahydro-6-heptyl, AKOS015915485, LS-2705, MCULE-4837230476, (+/-)-delta-Heptyl-delta-valerolactone, delta-Dodecalactone, analytical standard, AK307595, AN-22108, DS-11405, P267, SC-74597, ST096793, 5-Hydroxydodecanoic acid, .delta.-lactone, (+/-)-6-Heptyltetrahydro-2H-pyran-2-one, TL8006626, TR-023491, FT-0624502, Dodecanoic acid, 5-hydroxy-, .delta.-lactone, A837171, C-30749, I14-5958, delta-Dodecalactone, mixture of isomers, natural, >=98%, FG, InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3, d-Dodecalactone, |A-Dodecalactone, dodecan - 5 - olide, UNII-33DIC582TL, 33DIC582TL, C12H22O2, CID12844, 2h-piran-2-ona, 6-heptiltetrahidro-, C12-H22-O2, D1414, delta-Dodecanolactone, 98% - 100ML 100ml, 108943-47-1,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.162g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.306g/mol
Monoisotopic Mass	198.162g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P280a-P321-P332+P313-P337+P313
UN Code

Certificate of Analysis

Lot Number