AG003LH0

136-77-6 | 4-Hexylbenzene-1,3-diol

AG003LH0

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CAS Number	136-77-6
Catalog Number	AG003LH0(AGN-PC-0JK6LS)
Chemical Name	4-Hexylbenzene-1,3-diol
EC Number	205-257-4
IUPAC Name	4-hexylbenzene-1,3-diol
InChI	InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
InChI Key	WFJIVOKAWHGMBH-UHFFFAOYSA-N
MDL Number	MFCD00002284
Molecular Formula	C12H18O2
Molecular Weight	194.2701
SMILES	C(CCCCC)C1=C(C=C(C=C1)O)O
UNII	R9QTB5E82N
Synonyms	4 Hexylresorcinol, 4-hexylresorcinol, Hexylresorcinol, hexylresorcinol, 4-Hexylresorcinol, 4-hexylbenzene-1,3-diol, 136-77-6, 4-n-Hexylresorcinol, 4-Hexyl-1,3-benzenediol, Antascarin, Ascaricid, Ascarinol, p-Hexylresorcinol, Adrover, Caprokol, Hidesol, Oxana, Crystoids, Prensol, 4-Hexylresorcine, 1,3-Benzenediol, 4-hexyl-, Sucrets, Gelovermin, Hexylresorcin, 4-Hexyl-1,3-dihydroxybenzene, Ascaryl, 4-(1-Hexyl)resorcinol, Cystoids anthelmintic, 1,3-Dihydroxy-4-hexylbenzene, Worm-agen, Resorcinol, 4-hexyl-, Hexylresorzin, Mycoderm, 1,3-Dihydroxy-4-n-hexylbenzene, NCI-C55787, ST-37, Hexylresorcinolum, S.T. 37, Hexylresorcin [German], UNII-R9QTB5E82N, NSC 1570, MFCD00002284, CCRIS 888, HSDB 566, ST 37, EINECS 205-257-4, 4-Hexylresorcinol, 98%, BRN 2048312, R9QTB5E82N, AI3-08055, CHEMBL443605, NSC1570, WFJIVOKAWHGMBH-UHFFFAOYSA-N, 1-(2',4'-Dihydroxyphenyl)hexane, C12H18O2, NCGC00091208-04, DSSTox_CID_699, DSSTox_RID_75743, DSSTox_GSID_20699, EverFresh, 4-hexyl resorcinol, CAS-136-77-6, Hexylresorcinol [USP:INN:BAN], zlchem 16, 4-Hexyl-benzenediol, crystoids anthelmintic, Hexylresorcinol (USP), Spectrum_000869, Benzenediol, 4-hexyl-, 1, 4-hexyl-, 4-Hexylresorcinol, 8CI, AC1L1GBE, Spectrum2_000989, Spectrum3_000451, Spectrum4_000001, Spectrum5_000794, ACMC-209c9r, WLN: QR CQ D6, Hexylresorcinol, BAN, USAN, SCHEMBL29107, BSPBio_002122, KBioGR_000341, KBioSS_001349, 4-06-00-06048 (Beilstein Handbook Reference), MLS002152930, DivK1c_000094, SPECTRUM1500330, SPBio_001057, AC1Q7A01, Jsp002214, 1-(2,4-Dihydroxyphenyl)hexane, 4-Hexyl-1,3-dihydroxy benzene, DTXSID1020699, BCBcMAP01_000093, CHEBI:93749, HMS500E16, KBio1_000094, KBio2_001349, KBio2_003917, KBio2_006485, KBio3_001342, ZLB0003, NINDS_000094, 1, 3-Dihydroxy-4-n-hexylbenzene, HMS1920D09, HMS2091J15, Pharmakon1600-01500330, ACT05713, HY-B0986, NSC-1570, ZINC1576892, Tox21_111102, Tox21_202263, Tox21_300357, ANW-20173, BBL023042, BDBM50292636, CCG-40207, LS-794, NSC757056, s4571, SBB056777, STL008005, 4-Hexylresorcinol, analytical standard, AKOS005683587, Tox21_111102_1, CS-4477, DB11254, MCULE-6006628559, NSC-757056, RTR-031025, BENZENE,1,3-DIHYDROXY,4-HEXYL, IDI1_000094, QTL1_000043, SMP1_000009, NCGC00091208-01, NCGC00091208-02, NCGC00091208-03, NCGC00091208-05, NCGC00091208-06, NCGC00091208-07, NCGC00091208-09, NCGC00254302-01, NCGC00259812-01, AC-12698, AJ-27346, AK-25396, AN-23121, AS-40438, BC205066, CJ-05428, CJ-24976, NCI60_001129, SC-79417, SMR000112060, ST092340, SBI-0051404.P003, TL8000851, TR-031025, FT-0618587, ST24032801, D04441, M-5357, AB00052011_05, SR-05000002054, Q-201203, S01-0171, SR-05000002054-1, BRD-K99946902-001-02-6, Z1259339944, Hexylresorcinol, European Pharmacopoeia (EP) Reference Standard, Hexylresorcinol, United States Pharmacopeia (USP) Reference Standard, Hexylresorcinol for system suitability, EuropePharmacopoeia (EP) Reference Standard, InChI=1/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H, Kopnol, 4-Hexilresorcina, Synovea HR, 4-hexilresorcinol, 4 Hexylresorcinol, 4-n-hexilresorcinol, ACRISORCIN, Resorcinol, 4-hexil-, 4-(1-hexil) resorcinol, 4-Hexyl-1 3-benzenediol, D07EGB, Resorcinol 4-hexyl-(8CI), 13-Dihydroxy-4-hexylbenzene, 1,3-Bencenodiol, 4-hexil-, 4-hexil-1, 3--bencenodiol, 1,3-dihidroxi-4-hexilbenceno, 4-hexil-1,3-dihidroxibenceno, 4-Hexyl-1 3-dihydroxybenzene, KOM 14, 1-n-Hexyl-2,4-dihydroxybenzene, CID3610, 1-(2', 4'-dihidroxifenil) hexano, AR-1J1973, C12-H18-O2, 1-(2'''' 4'-Dihydroxyphenyl)hexane, H0139, C557696, D006604, 13823-55-7,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.274g/mol
Monoisotopic Mass	194.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 3077

Certificate of Analysis

Lot Number