1-Phenoxy-2-propanol - CAS 770-35-4

Technical Data

IUPAC Name:	1-phenoxypropan-2-ol
Description:	1-Phenoxy-2-propanol (CAS# 770-35-4) is a useful synthetic intermediate. It was used in the preparation of acylarylthiocarbamates as nonnucleoside reverse transcriptase inhibitors.
Molecular Weight:	152.19
Molecular Formula:	C9H12O2
Canonical SMILES:	CC(COC1=CC=CC=C1)O
InChI:	InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChI Key:	IBLKWZIFZMJLFL-UHFFFAOYSA-N
Boiling Point:	243 ℃
Melting Point:	11 ℃
Flash Point:	98.304°C
Purity:	95 %
Density:	1.063 g/cm³
Appearance:	Green liquid
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	Decomposition products depend upon the temperature, Air supply, And the presence of other materials, But can include aldehydes, Ketones, Organic acids, And other compounds
MDL:	MFCD00016861
LogP:	1.44620
Refractive Index:	1.519
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents.
Vapor Pressure:	0.02 [mmHg]

GHS Hazard Statement:	H319 (93.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
33358762	20210301	The EyeIRR-IS assay: Development and evaluation of an in vitro assay to measure the eye irritation sub-categorization of liquid chemicals	Toxicology in vitro : an international journal published in association with BIBRA
29205417	20180501	Inhibition of germinal vesicle breakdown in Xenopus oocytes in vitro by a series of substituted glycol ethers	Journal of applied toxicology : JAT
21968191	20111201	PPM-1, a PP2Cα/β phosphatase, regulates axon termination and synapse formation in Caenorhabditis elegans	Genetics
21188039	20100501	Development and Validation of a RPLC Method for the Determination of 2-Phenoxyethanol in Senselle Lubricant Formulation	Indian journal of pharmaceutical sciences
18809433	20090130	1-Phenoxy-2-propanol is a useful anaesthetic for gastropods used in neurophysiology	Journal of neuroscience methods

Complexity:	97.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.083729621
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7