5-Methyl-3-heptyl Acetate - >95.0%(GC), high purity , CAS No.375855-08-6

Item Number

M158708

Grouped product items
SKU	Size	Availability	Price	Qty
M158708-1g	1g	9	$59.90	+-
M158708-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$189.90	+-

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Basic Description

Synonyms	Acetic Acid 5-Methyl-3-heptyl Ester \| D88429 \| A1379 \| Acetic Acid 1-Ethyl-3-methylpentyl Ester \| 5-Methyl-3-heptyl Acetate \| 5-methylheptan-3-yl acetate \| 1-Ethyl-3-methylpentyl Acetate \| DTXSID30659848 \| 1-ETHYL-3-METHYLPENTYLACETATE
Specifications & Purity	≥95%
Shipped In	Normal

Names and Identifiers

Pubchem Sid	504770425
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770425
IUPAC Name	5-methylheptan-3-yl acetate
INCHI	InChI=1S/C10H20O2/c1-5-8(3)7-10(6-2)12-9(4)11/h8,10H,5-7H2,1-4H3
InChi Key	KCEXFYWUSJAMSL-UHFFFAOYSA-N
Canonical SMILES	CCC(C)CC(CC)OC(=O)C
Isomeric SMILES	CCC(C)CC(CC)OC(=O)C
PubChem CID	44630060
Molecular Weight	172.27
Beilstein	2(1)62
Reaxy-Rn	1757588

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
I2418018	Certificate of Analysis	Sep 11, 2024	M158708
I2418019	Certificate of Analysis	Sep 11, 2024	M158708
I2418020	Certificate of Analysis	Sep 11, 2024	M158708
I2418021	Certificate of Analysis	Sep 11, 2024	M158708

Chemical and Physical Properties

Flash Point(°C)	65 °C
Boil Point(°C)	185°C(lit.)
Molecular Weight	172.260 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	172.146 Da
Monoisotopic Mass	172.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Basic Description