AG002U64

27593-23-3 | 2H-Pyran-2-one, 6-pentyl-

AG002U64

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CAS Number	27593-23-3
Catalog Number	AG002U64(AGN-PC-0JKNGP)
Chemical Name	2H-Pyran-2-one, 6-pentyl-
EC Number	248-552-3
FEMA Number	3696
IUPAC Name	6-pentylpyran-2-one
InChI	InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
InChI Key	MAUFTTLGOUBZNA-UHFFFAOYSA-N
MDL Number	MFCD00047551
Molecular Formula	C10H14O2
Molecular Weight	166.2170
NSC Number	721361
SMILES	O=C1C=CC=C(CCCCC)O1
UNII	8JTW8HL4PJ
Synonyms	6-pentyl-2H-pyran-2-one, 6-pentylpyrone, 6-Pentyl-2H-pyran-2-one, 27593-23-3, 6-Amyl-alpha-pyrone, 6-Pentyl-2-pyrone, 6-Amyl-2-pyrone, 6-pentylpyran-2-one, 6-PENTYL-ALPHA-PYRONE, 2H-Pyran-2-one, 6-pentyl-, 6-Amyl-A-pyrone, UNII-8JTW8HL4PJ, 2-Pyrone, 6-pentyl, 6-pentyl-pyran-2-one, 6-Amyl-.alpha.-pyrone, 6-n-pentyl-alpha-pyrone, 8JTW8HL4PJ, 5-Hydroxy-2,4-decadienoic acid delta-lactone, CHEBI:66729, FR-2070, 5-hydroxy-2,4-decadienoic acid gamma-lactone, FEMA No. 3696, 6-pentyl-a-pyrone, EINECS 248-552-3, NSC721361, 6 Amyl Alpha Pyrone, 6-Amyl-alpha -pyrone, 6-Pentyl-alpha -pyrone, 2,4-Decadien-5-olide, 6-N-Amyl alpha -pyrone, 6-Pentyl-.alpha.-pyrone, alpha -Pyrone, 6-pentyl, ACMC-209gy8, 6-N-Amyl .alpha.-pyrone, Pyran-2-one, 6-pentyl-, .alpha.-Pyrone, 6-pentyl, AC1L1QN3, DSSTox_CID_27589, DSSTox_RID_82436, DSSTox_GSID_47589, 6-n-pentyl-2h-pyran-2-one, SCHEMBL968257, CHEMBL503899, DTXSID0047589, CTK6D7223, FEMA 3696, MAUFTTLGOUBZNA-UHFFFAOYSA-N, KS-000017AE, ZINC1663619, ZX-AT021943, Tox21_302570, ANW-26238, MFCD00047551, SBB008445, 6-Amyl-alpha-pyrone, >=96%, FG, AKOS015839660, CA-1136, MCULE-5618749422, NSC-721361, OR28306, TRA-0189859, NCGC00256764-01, CJ-26861, NCI60_041518, 5-Hydroxy-2,4-decadienoic acid D-lactone, CAS-27593-23-3, TR-012343, FT-0620947, ST50828007, 593A233, C-50264, I14-85605, 2h-piran-2-ona, 6-pentil-, CID33960, C10-H14-O2, A2147,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.099g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.22g/mol
Monoisotopic Mass	166.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number