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Trans-4-Pentylcyclohexanecarboxylic Acid

Catalog Number
ACM38289291
Product Name
Trans-4-Pentylcyclohexanecarboxylic Acid
Structure
CAS
38289-29-1
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4-Pentylcyclohexanecarboxylic Acid
IUPAC Name
4-pentylcyclohexane-1-carboxylic acid
Molecular Weight
198.3
Molecular Formula
C12H22O2
Canonical SMILES
CCCCCC1CCC(CC1)C(=O)O
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChI Key
RVLAXPQGTRTHEV-UHFFFAOYSA-N
Boiling Point
295.63 ºC
Melting Point
51-53 ºC
Purity
95%+
Density
0.959 g/ml
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
169
Covalently-Bonded Unit Count
1
Exact Mass
198.16198g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
14
MDL Number
MFCD00009964
Monoisotopic Mass
198.16198g/mol
NSC Number
173074
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
5
Signal Word
Warning
UNII
S86CWG6K6Q
XLogP3
4.3
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