4-Propylphenol - CAS 645-56-7

Catalog:	BB032502
Product Name:	4-Propylphenol
CAS:	645-56-7
Synonyms:	4-propylphenol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-propylphenol
Description:	4-Propylphenol (CAS# 645-56-7) is a useful research chemical.
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CCCC1=CC=C(C=C1)O
InChI:	InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChI Key:	KLSLBUSXWBJMEC-UHFFFAOYSA-N
Boiling Point:	232 °C
Melting Point:	22 °C
Purity:	> 99.0 % (GC)
Density:	0.983 g/cm³
Solubility:	1.28 mg/mL at 25 °C
Appearance:	Powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00002395
LogP:	2.34470

Publication Number	Title	Priority Date
CN-113214455-A	Toughening type water-based epoxy curing agent and preparation method and application thereof	20210625
CN-113462626-A	Expression optimization of multi-subunit enzyme for synthesizing high value-added compound by using lignin monomer	20210624
CN-113307983-A	Method for separating lignin by green solvent quickly and in high yield	20210521
CN-113150287-A	Preparation method of cross-linkable fluorine-containing polyphosphazene	20210421
CN-112961298-A	Phenolic resin and preparation method thereof	20210309

PMID	Publication Date	Title	Journal
22428874	20120701	Investigation of the sunscreen octocrylene's interaction with amino acid analogs in the presence of UV radiation	Photochemistry and photobiology
22230296	20120401	Estrogen- and xenoestrogen-induced ERK signaling in pituitary tumor cells involves estrogen receptor-α interactions with G protein-αi and caveolin I	Steroids
20870566	20110101	Combinations of physiologic estrogens with xenoestrogens alter ERK phosphorylation profiles in rat pituitary cells	Environmental health perspectives
20658345	20101101	Morpho-functional identification of abdominal olfactory receptors in the midge Culicoides imicola	Journal of comparative physiology. A, Neuroethology, sensory, neural, and behavioral physiology
20950447	20101015	Combinations of physiologic estrogens with xenoestrogens alter calcium and kinase responses, prolactin release, and membrane estrogen receptor trafficking in rat pituitary cells	Environmental health : a global access science source

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Related Functional Groups

Oxygen Compounds

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[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[37503-42-7]
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[5724-76-5]
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GHS Hazard Statement:	H314 (91.14%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	82.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.088815002
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2