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Substance Name: Hexanediol, 2-ethyl-, dibenzoate
RN: 25724-54-3
InChIKey: CVQOBYGTHWIAGJ-UHFFFAOYSA-N

Molecular Formula

  • C22-H26-O4

Molecular Weight

  • 354.443
 
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Names and Synonyms

Synonym

  • Benzoic acid, 2-ethylhexanediol diester

Systematic Name

  • Hexanediol, 2-ethyl-, dibenzoate

Registry Numbers

CAS Registry Number

  • 25724-54-3

System Generated Number

  • 0025724543

Structure Descriptors

InChI

1S/C22H26O4/c1-2-18(17-26-22(24)20-14-7-4-8-15-20)11-9-10-16-25-21(23)19-12-5-3-6-13-19/h3-8,12-15,18H,2,9-11,16-17H2,1H3

InChIKey

CVQOBYGTHWIAGJ-UHFFFAOYSA-N

Smiles

c1(C(OC[C@@H](CCCCOC(c2ccccc2)=O)CC)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 29200uL/kg (29.2mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.