CAS 879360-14-2 Decahydro-1,4-naphthalenedicarboxylic Acid (mixture of isomers)

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Decahydro-1,4-naphthalenedicarboxylic Acid (mixture of isomers)

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Catalog Number

ACM879360142

Product Name

Decahydro-1,4-naphthalenedicarboxylic Acid (mixture of isomers)

CAS

879360-14-2

Category

Monomers

IUPAC Name

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid

Molecular Weight

226.27

Molecular Formula

C12H18O4

Canonical SMILES

C1CCC2C(C1)C(CCC2C(=O)O)C(=O)O

InChI

InChI=1S/C12H18O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h7-10H,1-6H2,(H,13,14)(H,15,16)

InChI Key

FEMXBCRRAJLQAS-UHFFFAOYSA-N

Melting Point

147 °C

Purity

>96.0%(GC)(T)

Appearance

White to Light yellow to Light orange powder to crystal

Storage

Store under inert gas

Complexity

269

Covalently-Bonded Unit Count

Exact Mass

226.120509g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00041946

Monoisotopic Mass

226.120509g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

XLogP3

2.2

MSDS

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COA

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Spec Sheet

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