AG002T0X

2639-63-6 | Butanoic acid, hexyl ester

AG002T0X

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CAS Number	2639-63-6
Catalog Number	AG002T0X(AGN-PC-0JKDIF)
Chemical Name	Butanoic acid, hexyl ester
EC Number	220-136-6
FEMA Number	2568
IUPAC Name	hexyl butanoate
InChI	InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChI Key	XAPCMTMQBXLDBB-UHFFFAOYSA-N
MDL Number	MFCD00048884
Molecular Formula	C10H20O2
Molecular Weight	172.2646
SMILES	CCCCCCOC(=O)CCC
UNII	74HY6P24G7
Synonyms	HEXYL BUTYRATE, 2639-63-6, Hexyl butanoate, Butanoic acid, hexyl ester, n-Hexyl butyrate, Butyric Acid Hexyl Ester, Butyric acid, hexyl ester, n-Hexyl butanoate, 1-Hexyl butyrate, n-Hexyl n-butanoate, Hexyl butyrate (natural), n-Hexyl n-butyrate, UNII-74HY6P24G7, FEMA No. 2568, EINECS 220-136-6, BRN 1754469, n-Butyric acid n-hexyl ester, AI3-33290, CHEBI:87559, 74HY6P24G7, butanoic acid hexyl ester, Butyric acid hexyl, Hexyl Butyrate Natural, ACMC-209gr7, AC1L2A5T, DSSTox_CID_27559, DSSTox_RID_82419, DSSTox_GSID_47559, KSC492C6B, SCHEMBL128437, Hexyl butyrate, >=98%, FG, CHEMBL3182794, DTXSID8047559, CTK3J2160, KS-00000ZYT, XAPCMTMQBXLDBB-UHFFFAOYSA-N, Hexyl butyrate, analytical standard, ZINC2035981, Tox21_302445, ANW-25985, LMFA07010419, MFCD00048884, SBB061110, AKOS015903168, Hexyl butyrate, natural, >=98%, FG, LS-2810, MCULE-8350935490, NCGC00256849-01, AJ-33037, AN-18891, CJ-07540, CAS-2639-63-6, RT-000326, FT-0686710, ST24030761, ST51047173, WE(6:0/4:0), I14-18675, Hexylbutyrate, Hexyl-N-butyrate, C10H20O2, CID17525, C10-H20-O2, Hexyl butyrate, 98% - 25ML 25ml, WE(10:0), B1891, 4-02-00-00791 (Beilstein Handbook Reference),

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.146g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.268g/mol
Monoisotopic Mass	172.146g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number