AG00I9NE

5405-41-4 | Butanoic acid, 3-hydroxy-, ethyl ester

AG00I9NE

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CAS Number	5405-41-4
Catalog Number	AG00I9NE(AGN-PC-00GT2V)
Chemical Name	Butanoic acid, 3-hydroxy-, ethyl ester
FEMA Number	3428
IUPAC Name	ethyl 3-hydroxybutanoate
InChI	InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChI Key	OMSUIQOIVADKIM-UHFFFAOYSA-N
MDL Number	MFCD00004545
Molecular Formula	C6H12O3
Molecular Weight	132.1577
SMILES	C(C(OCC)=O)C(C)O
UN Number	1993
Synonyms	(R)-ethyl 3-hydroxybutyrate, (S)-ethyl 3-hydroxybutyrate, ethyl 3-hydroxybutyrate, Ethyl 3-hydroxybutyrate, Ethyl 3-hydroxybutanoate, 5405-41-4, Ethyl beta-hydroxybutyrate, Butanoic acid, 3-hydroxy-, ethyl ester, Butyric acid, 3-hydroxy-, ethyl ester, NSC 8115, NSC 42916, FEMA No. 3428, Ethyl (R)-(-)-3-hydroxybutyrate, Ethyl 3-hydroxybutyrate (natural), EINECS 226-456-2, EINECS 252-642-8, Ethyl dl-3-hydroxybutyrate, Ethyl (1)-3-hydroxybutyrate, AI3-11592, 35608-64-1, OMSUIQOIVADKIM-UHFFFAOYSA-N, MFCD00004545, DL-3-HYDROXY-N-BUTYRIC ACID ETHYL ESTER, Ethyl 3-hydroxybutyrate, 99%, Ethyl3-hydroxybutyrate, grape butyrate, ACMC-209gfm, ACMC-209luh, DSSTox_CID_5305, Ethyl 3- Hydroxy Butyrate, ethyl 3-hydroxy-n-butyrate, AC1L1XD8, Ethyl 3-hydroxybutanoate #, DSSTox_GSID_25305, Ethyl .beta.-hydroxybutyrate, SCHEMBL76382, KSC269G7B, ETHYL-3-HYDROXYBUTYRATE, AC1Q34O1, Racemic ethyl 3-hydroxybutyrate, 3-hydroxybutyric acid ethylester, DTXSID6025305, CHEBI:87685, CTK1G9370, Ethyl (+/-)-3-hydroxybutyrate, FEMA 3428, 3-hydroxybutyric acid ethyl ester, NSC8115, CH3CH(OH)CH2C(O)OC2H5, Ethyl 3-hydroxybutyrate, >=98%, 3-hydroxy-butyric acid ethyl ester, Ethyl-dl-.beta.-hydroxy n-butyrate, KS-000008YM, NSC-8115, NSC42916, 3-Hydroxy-butanoic acid ethyl ester, EINECS 260-393-1, Tox21_303950, ANW-31940, DL-3-Hydroxy-n-butyrate ethyl ester, NSC-42916, Ethyl 3-hydroxybutyrate, natural, FG, AKOS009157139, DL-3-Hydroxybutyric Acid Ethyl Ester, Ethyl 3-hydroxybutyrate, >=97%, FG, LS-1340, RTR-019111, TRA0049199, TRA0066372, KS-000001H2, NCGC00357184-01, AK-44441, AK-61862, AK-73006, AN-21099, BC219465, BR-73006, DS-15292, SC-08980, SC-93699, SY015069, SY017544, CAS-5405-41-4, ST2412976, TR-019111, Butyric acid, .beta.-hydroxy-, ethyl ester, Ethyl 3-hydroxybutyrate, analytical standard, FT-0615837, FT-0625403, W6841, dl-.beta.-Hydroxy-n-butyric acid ethyl ester, MFCD00004545 (98%), DL-3-Hydroxybutyric acid ethyl ester (liquid), H-4140, M-6040, MFCD00075386 (97+%), I14-1094, Butanoic acid, 3-hydroxy-, ethyl ester, (.+/-.)-, I14-13670, I14-45260, Ethyl (R)-3-hydroxybutyrate, (S)-Ethyl 3-hydroxybutanoate, Butyric acid, ethyl ester, Ethyl (S)-3-hydroxybutyrate, ethyl 3 - hydroxybutyrate, Butanoic acid, ethyl ester, UNII-52008C87PV, C6H12O3, Ethyl (+-)-3-hydroxybutyrate, ethyl (3R)-3-hydroxybutanoate, CID62572, 3-hydroxy Butanoic acid ethyl ester, C6-H12-O3, 24915-95-5, 52008C87PV, ACN-029250, (R)-(-)-3-Hydroxybutyric Acid Ethyl Ester, (S)-(+)-3-Hydroxybutyric Acid Ethyl Ester, H0230, 56816-01-4, Ethyl 3-hydroxybutyrate, 99% - 100G 100g, Butanoic acid, 3-hydroxy-, ethyl ester, (.+.)-, (S)-(+)-3-HYDROXY-N-BUTYRIC ACID ETHYL ESTER,

Complexity	90.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	132.159g/mol
Monoisotopic Mass	132.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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	\N

Certificate of Analysis

Lot Number