AG0035FJ

500-66-3 | 5-Pentylbenzene-1,3-diol

AG0035FJ

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CAS Number	500-66-3
Catalog Number	AG0035FJ(AGN-PC-00619C)
Chemical Name	5-Pentylbenzene-1,3-diol
EC Number	207-908-8
IUPAC Name	5-pentylbenzene-1,3-diol
InChI	InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
InChI Key	IRMPFYJSHJGOPE-UHFFFAOYSA-N
MDL Number	MFCD00002293
Molecular Formula	C11H16O2
Molecular Weight	180.2435
SMILES	OC1=CC(CCCCC)=CC(O)=C1
UNII	65OP0NEZ1P
Synonyms	5-pentyl-1,3-dihydroxybenzene, olivetol, OLIVETOL, 500-66-3, 5-pentylbenzene-1,3-diol, 5-Pentylresorcinol, 5-n-Amylresorcinol, 5-Pentyl-1,3-benzenediol, 3,5-Dihydroxyamylbenzene, 5-n-Pentylresorcinol, 1,3-Benzenediol, 5-pentyl-, Resorcinol, 5-pentyl-, CCRIS 6084, 1,3-Dihydroxy-5-pentylbenzene, 5-(1-pentyl)resorcinol, UNII-65OP0NEZ1P, EINECS 207-908-8, BRN 0908277, 65OP0NEZ1P, Pentyl-3,5-dihydroxybenzene, CHEBI:66960, IRMPFYJSHJGOPE-UHFFFAOYSA-N, 1,3-Benzenediol, 5-pentyl- (9CI), AK-81914, DSSTox_CID_5812, DSSTox_RID_77932, DSSTox_GSID_25812, A1-00433, J-640255, CAS-500-66-3, While Olivetol, Olivetol (6CI), MFCD00002293, Olivetol, 95%, 5-n-pentyl resorcinol, PubChem20052, ACMC-209wqw, 3,5-Hydroxypentylbenzene, RESORCINOL(5:0), AC1L1V2H, AC1Q2VS1, 5-pentyl-benzene-1,3-diol, SCHEMBL69517, 1,3-Benzenediol,5-pentyl-, 3-06-00-04695 (Beilstein Handbook Reference), KSC592A4B, 5-Pentyl-1,3-benzenediol #, BEN208, CHEMBL154533, DTXSID0025812, Resorcinol, 5-pentyl- (8CI), CTK4J2040, 3 pound not5-hydroxypentylbenzene, BCP05148, EBD54672, KS-00000GV0, ZINC2040431, Tox21_202349, Tox21_303332, ANW-46710, CO-038, FC0716, FD7124, LMPK15030008, SBB055387, AKOS015843209, CS-W008364, GS-0903, HY-W008364, LS-1307, MCULE-4626118038, TRA0033823, SMP1_000226, NCGC00091140-01, NCGC00091140-02, NCGC00257098-01, NCGC00259898-01, 4CN-1260, AC-26318, AJ-33228, AN-45359, CC-33320, CJ-07615, CJ-32379, N950, SC-25032, SY104495, AB0006618, AX8146184, DB-007795, ST2406343, TC-020327, FT-0080622, FT-0600424, ST50949945, MFCD00002293 (95%), K-9266, 500O663, C-33431, I01-6424, J-800254, DIPHENYLACETALDEHYDE, 5-pentyl-1,3- benzenediol, 5-pentyl-1,3-dihydroxybenzene, C11H16O2, CID10377, AR-1G9368, NA8027, C11-H16-O2, C016630, 51946-38-4,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.115g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.247g/mol
Monoisotopic Mass	180.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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