AG002M0O

2305-25-1 | Hexanoic acid, 3-hydroxy-, ethyl ester

AG002M0O

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CAS Number	2305-25-1
Catalog Number	AG002M0O(AGN-PC-0JL4DO)
Chemical Name	Hexanoic acid, 3-hydroxy-, ethyl ester
EC Number	218-973-7
FEMA Number	3545
IUPAC Name	ethyl 3-hydroxyhexanoate
InChI	InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
InChI Key	LYRIITRHDCNUHV-UHFFFAOYSA-N
MDL Number	MFCD00036604
Molecular Formula	C8H16O3
Molecular Weight	160.2108
SMILES	CCCC(O)CC(OCC)=O
Synonyms	Ethyl 3-hydroxyhexanoate, 2305-25-1, Hexanoic acid, 3-hydroxy-, ethyl ester, Ethyl beta-hydroxycaproate, 3-HYDROXYHEXANOIC ACID ETHYL ESTER, ethyl 3-hydroxy-hexanoate, Ethyl hydroxy-3-hexanoate, LYRIITRHDCNUHV-UHFFFAOYSA-N, MFCD00036604, FEMA No. 3545, EINECS 218-973-7, ACMC-20lakf, Ethyl 3-hydroxycaproate, Ethyl-3-Hydrixyhexanoate, AC1L1UXX, ethyl 3-hydroxy hexanoate, ACMC-209g0f, KSC493A9B, SCHEMBL873010, ETHYL-3-HYDROXYHEXANOATE, Jsp004649, racemic ethyl 3-hydroxyhexanoate, CHEBI:23997, CTK3J3090, FEMA 3545, KS-00000ZTE, Ethyl (+/-)-3-hydroxyhexanoate, 3-hydroxy-hexanoic acid ethyl ester, BCP24429, ANW-25021, LMFA07010516, AKOS009159203, MCULE-5905342292, TRA0065808, Ethyl 3-hydroxyhexanoate, >=98%, FG, 3-Hydroxyhexanoic acid ethyl ester, 98%, AK112372, AN-50678, S581, SY048396, WE(2:0/6:0(3OH)), RT-001248, E0788, FT-0626271, ST24030566, MFCD00036604 (97%), I14-11271, UNII-2M3L6B34FF, ethyl 3 - hydroxyhexanoate, ETHYL3-HYDROXYHEXANOATE, 2M3L6B34FF, C8H16O3, CID61293, C8-H16-O3, WE(8:0), Hexanoic acid,3-hydroxy-, ethyl ester, (3S)-, 3-Hydroxyhexanoic acid ethyl ester, 98% - 100G 100g, 88496-71-3,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.11g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.213g/mol
Monoisotopic Mass	160.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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