AG003TH1

1034-01-1 | Octyl 3,4,5-trihydroxybenzoate

AG003TH1

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CAS Number	1034-01-1
Catalog Number	AG003TH1(AGN-PC-0JL4CT)
Chemical Name	Octyl 3,4,5-trihydroxybenzoate
EC Number	213-853-0
IUPAC Name	octyl 3,4,5-trihydroxybenzoate
InChI	InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
InChI Key	NRPKURNSADTHLJ-UHFFFAOYSA-N
MDL Number	MFCD00002197
Molecular Formula	C15H22O5
Molecular Weight	282.3322
NSC Number	97419
SMILES	O=C(OCCCCCCCC)C1=CC(O)=C(O)C(O)=C1
UNII	079IIA2811
Synonyms	3,4,5-trihydroxybenzoic acid octyl ester, octyl gallate, octyl gallate dihydrate, Octyl gallate, 1034-01-1, Octyl 3,4,5-trihydroxybenzoate, n-Octyl gallate, Progallin O, Stabilizer GA 8, n-Octylgallate, Gallic acid n-octyl ester, Gallic acid octyl ester, Gallic acid, octyl ester, BENZOIC ACID, 3,4,5-TRIHYDROXY-, OCTYL ESTER, Oktylester kyseliny gallove, GA 8 (VAN), NSC 97419, n-Octyl ester of 3,4,5-trihydroxybenzoic acid, OCTYLGALLATE, UNII-079IIA2811, Oktylester kyseliny gallove [Czech], EINECS 213-853-0, BRN 2132305, E311, CHEMBL277346, GA 8, CHEBI:83631, NRPKURNSADTHLJ-UHFFFAOYSA-N, MFCD00002197, 079IIA2811, AK114168, n-Ocyl gallate, Gallic acid octyl, Gallic acid-octyl ester, 3,4,5-trihydroxybenzoic acid octyl ester, AC1L1UUR, Gallic acid n-octyl-ester, DSSTox_CID_20713, DSSTox_RID_79561, DSSTox_GSID_40713, SCHEMBL36234, 4-10-00-02005 (Beilstein Handbook Reference), BIDD:ER0271, WLN: QR BQ CQ EVO8, ACMC-20987c, DTXSID4040713, CTK3J2518, Octyl 3,4,5-trihydroxybenzoate #, BCP15873, HY-N2011, KS-000016YE, NSC97419, ZINC1632635, Tox21_300272, ANW-14902, BDBM50240376, CO0032, NSC-97419, octyl 3,4,5-tris(oxidanyl)benzoate, SBB064243, AKOS009031297, CM10962, LS-3010, MCULE-8649192489, NCGC00164126-01, NCGC00164126-02, NCGC00164126-03, NCGC00254030-01, AC-20128, AN-48343, AS-10960, CC-33291, CAS-1034-01-1, 3,4,5-Trihydroxy-benzoic acid octyl ester, AX8146098, Benzoic acid,4,5-trihydroxy-, octyl ester, Octyl gallate, analytical reference material, RT-000696, FT-0626598, G0206, n-Octyl ester of 3,5-trihydroxybenzoic acid, ST24031494, ST50826828, Octyl gallate, antioxidant, >=99.0% (HPLC), A800728, C-34217, I01-4443, J-000952, Octyl gallate, European Pharmacopoeia (EP) Reference Standard, 65D, OCTYL_GALLATE, octyl gallate dihydrate, D02ZSX, Octyl3,4,5-trihydroxybenzoate, C15H22O5, CID61253, ACN-057014, C15-H22-O5, CS-O-11126, n-Octyl gallate, 98% - 100G 100g, C016627,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	282.336g/mol
Monoisotopic Mass	282.147g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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