3-Propylphenol - CAS 621-27-2

Catalog:	BB031426
Product Name:	3-Propylphenol
CAS:	621-27-2
Synonyms:	Phenol, 3-propyl-; Phenol, m-propyl-; 3-n-Propylphenol; m-Propylphenol; NSC 46998

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	3-propylphenol
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CCCC1=CC(=CC=C1)O
InChI:	InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3
InChI Key:	MPWGZBWDLMDIHO-UHFFFAOYSA-N
Boiling Point:	228°C
Melting Point:	26°C
Purity:	95%
Density:	0.9877 g/cm3
Solubility:	Soluble in Water
Appearance:	Liquid
Storage:	Store at 2-8°C
MDL:	MFCD01632130
LogP:	2.34470

Publication Number	Title	Priority Date
CN-113150287-A	Preparation method of cross-linkable fluorine-containing polyphosphazene	20210421
CN-112876353-A	2- (3-propylphenoxy) propionic acid and preparation method and application thereof	20210205
CN-111793342-A	Polycarbonate composition and preparation method thereof	20200608
CN-112322013-A	Polycarbonate composite material and preparation method thereof	20200608
KR-102178342-B1	A lateral heterojunction sheet and manufacturing method thereof	20200410

PMID	Publication Date	Title	Journal
22426893	20120301	A novel synthetic odorant blend for trapping of malaria and other African mosquito species	Journal of chemical ecology
22303496	20120101	Using molecular data for epidemiological inference: assessing the prevalence of Trypanosoma brucei rhodesiense in tsetse in Serengeti, Tanzania	PLoS neglected tropical diseases
22348159	20120101	Standardizing visual control devices for tsetse flies: West African species Glossina tachinoides, G. palpalis gambiensis and G. morsitans submorsitans	PLoS neglected tropical diseases
21943071	20110926	The role of cow urine in the oviposition site preference of culicine and Anopheles mosquitoes	Parasites & vectors
21276027	20110601	Shoo fly, don't bother me! Efficacy of traditional methods of protecting cattle from tsetse	Medical and veterinary entomology

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Oxygen Compounds

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GHS Hazard Statement:	H302+H312 (56.72%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]; H302 (94.03%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (56.72%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (62.69%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (37.31%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (37.31%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (37.31%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P313, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	90.7
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9