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4-(trans-4-Amylcyclohexyl)benzoic Acid

Catalog Number
ACM65355308
CAS Number
65355-30-8
Product Name
4-(trans-4-Amylcyclohexyl)benzoic Acid
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
4-(trans-4-Pentylcyclohexyl)benzoic Acid
IUPAC Name
4-(4-pentylcyclohexyl)benzoic acid
Molecular Weight
274.40
Molecular Formula
C18H26O2
Canonical SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20)
InChI Key
YXKKMVGGPRVHIL-UHFFFAOYSA-N
Melting Point
181 °C
Purity
>98.0%(GC)(T)
Appearance
White to Almost white powder to crystal
Complexity
284
Covalently-Bonded Unit Count
1
Exact Mass
274.19328g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
20
MDL Number
MFCD06208360
Monoisotopic Mass
274.19328g/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
6
Signal Word
Warning
XLogP3
6.4
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