4-(trans-4-Pentylcyclohexyl)phenyl (trans,trans)-4'-Propyl-[1,1'-bi(cyclohexane)]-4-carboxylate - 98%, high purity , CAS No.131790-57-3

Item Number

T347053

Grouped product items
SKU	Size	Availability	Price	Qty
T347053-1g	1g	7	$137.90	+-
T347053-5g	5g	4	$480.90	+-

Basic Description

Synonyms	SCHEMBL7900631 \| (trans,trans)-4-(4-trans-Pentylcyclohexyl)phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate \| P2696 \| MFCD11053459 \| SCHEMBL13433644 \| TRANS,TRANS-4-(TRANS-4-PENTYLCYCLOHEXYL)-PHENYL 4''-PROPYLBICYCLOHEXYL-4-CARBOXYLATE \| TRANS,TRANS-
Specifications & Purity	≥98%
Shipped In	Normal

Names and Identifiers

Pubchem Sid	488198781
IUPAC Name	[4-(4-pentylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
INCHI	InChI=1S/C33H52O2/c1-3-5-6-8-26-11-15-28(16-12-26)30-21-23-32(24-22-30)35-33(34)31-19-17-29(18-20-31)27-13-9-25(7-4-2)10-14-27/h21-29,31H,3-20H2,1-2H3
InChi Key	HNSOCAVSNSWNJJ-UHFFFAOYSA-N
Canonical SMILES	CCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)C4CCC(CC4)CCC
Isomeric SMILES	CCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)C4CCC(CC4)CCC
PubChem CID	14993612
Molecular Weight	480.777

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
E2216034	Certificate of Analysis	Jan 22, 2025	T347053
E2216059	Certificate of Analysis	Jan 22, 2025	T347053

Chemical and Physical Properties

Melt Point(°C)	223°C
Molecular Weight	480.800 g/mol
XLogP3	12.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Exact Mass	480.397 Da
Monoisotopic Mass	480.397 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	582.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Hazard Statements

H413:May cause long lasting harmful effects to aquatic life

Precautionary Statements

P273:Avoid release to the environment.

P501:Dispose of contents/container to ...

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Basic Description