Pentyl valerate - CAS 2173-56-0

Catalog:	BB017117
Product Name:	Pentyl valerate
CAS:	2173-56-0
Synonyms:	pentyl pentanoate

Technical Data

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Computed Properties

IUPAC Name:	pentyl pentanoate
Description:	Pentyl valerate (CAS# 2173-56-0 ) is a useful research chemical.
Molecular Weight:	172.26
Molecular Formula:	C10H20O2
Canonical SMILES:	CCCCCOC(=O)CCCC
InChI:	InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
InChI Key:	FGPPDYNPZTUNIU-UHFFFAOYSA-N
Boiling Point:	201 °C
Flash Point:	76.5°C
Density:	0.865 g/mL at 20 °C(lit.)
MDL:	MFCD00042904
LogP:	2.91000
Refractive Index:	n20/D 1.417

Publication Number	Title	Priority Date
EP-3842489-A1	Heterophasic propylene polymer material and use of the same	20191224
US-2021189110-A1	Heterophasic propylene polymer material and use of the same	20191224
US-2021189302-A1	Low Density Unit Dose Detergents With Encapsulated Fragrance	20191219
US-2021189304-A1	Delivery System For Dryer Balls	20191219
WO-2021127559-A1	Compositions comprising cannabinoid anions and anti-nucleating agents	20191219

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P321, P332+P313, and P362
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.146329876
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.146329876
Rotatable Bond Count:	8
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3