Benzyl Octyl Adipate

cas: 3089-55-2 — see every product listed under this CAS number, including other names

Benzyl Octyl Adipate (CAS 3089-55-2) is a chemical reagent available from Chemat. Available pack sizes: 2,5g. Offered by: TRC.

brandTRC
catalog numberTRC-B285580-2.5G
cas3089-55-2
size2,5g
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Structural formula: {0} (CAS {1})

6-O-benzyl 1-O-octyl hexanedioate (CAS 3089-55-2) is a chemical compound with the molecular formula C21H32O4 and a molecular weight of 348.5 g/mol. IUPAC name: 6-O-benzyl 1-O-octyl hexanedioate. InChIKey: DECACTMEFWAFRE-UHFFFAOYSA-N.

Identity
Molecular formulaC21H32O4
Molecular weight348.5 g/mol
IUPAC name6-O-benzyl 1-O-octyl hexanedioate
InChIKeyDECACTMEFWAFRE-UHFFFAOYSA-N
SMILESCCCCCCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1

Computed by PubChem (NCBI)

Synonyms: Benzyl octyl adipate, Hexanedioic acid, octyl phenylmethyl ester, ADIMOLL BO, 1-Octyl 6-(phenylmethyl) hexanedioate, Hexanedioic acid, 1-octyl 6-(phenylmethyl) ester, 6-O-benzyl 1-O-octyl hexanedioate, benzyloctyladipat, benzyloctyladipate, O6-benzyl O1-octyl hexanedioate, ADIMOLL
Isomers (same molecular formula)
(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O4
(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O4
1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone C21H32O4
(3R,5R,8S,9S,10S,13S,14S,17R)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O4
methyl (2E,4E,6E,8E)-9-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-3,7-dimethylnona-2,4,6,8-tetraenoate C21H32O4
(5R,8S,9S,10S,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C21H32O4
2-tridecoxycarbonylbenzoic acid C21H32O4
(5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O4
(5E)-5-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid C21H32O4
1-O-benzyl 6-O-(2-ethylhexyl) hexanedioate C21H32O4
(6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,9,10-triol C21H32O4

Also listed as

Benzyl octyl adipate, 95%, 95% Chemat CAS 3089-55-2
Benzyl octyl adipate, 95% Fluorochem CAS 3089-55-2