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Propargyl alcohol

ChemSpider ID: 21106466
Molecular Formula: C₃H₄O
Average mass: 56.063 Da
Monoisotopic mass: 56.026001 Da
Systematic name

2-Propyn-1-ol
SMILES and InChIs

SMILES:

C#CCO Copied

Std. InChI:

InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2 Copied

Std. InChIKey:

TVDSBUOJIPERQY-UHFFFAOYSA-N Copied
Cite this record
CSID:21106466, http://www.chemspider.com/Chemical-Structure.21106466.html (accessed 00:47, May 25, 2013) Copied

Names and Identifiers

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Data supplied by datasources and users.

Experimental Physico-chemical Properties

Experimental Melting Point:

-53 deg C (-53 °C) Alfa Aesar

Experimental Boiling Point:

114-115 deg C (114-115 °C) Alfa Aesar

237 F (113.8889 °C) NIOSH

Experimental Ionization Potent:

10.51 Ev NIOSH
Experimental Vapor Pressure:

12 mmHg NIOSH
Experimental LogP:

-0.381 Vitas-M

Experimental Flash Point:

33 deg C (33 °C) Alfa Aesar

(Liquid, Low) Alfa Aesar

Experimental Freezing Point:

-62 F (-52.2222 °C) NIOSH
Experimental Refraction Index:

1.432 Alfa Aesar
Experimental Solubility:

Miscible NIOSH

Miscellaneous

Appearance:

Colorless to straw-colored liquid with a mild, geranium odor. NIOSH

Safety:

DANGER: FLAMMABLE, POISON, causes kidney damage Alfa Aesar

DANGER: POISON, FLAMMABLE, causes CNS injury Alfa Aesar

First-Aid:

Eye: Irrigate immediately Skin: Water flush promptly Breathing: Respiratory support Swallow: Medical attention immediately NIOSH

Exposure Routes:

inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH

Symptoms:

Irritation skin, mucous membrane; central nervous system depression; in animals: liver, kidney damage NIOSH

Target Organs:

Skin, respiratory system, central nervous system, liver, kidneys NIOSH
Incompatibility:

Phosphorus pentoxide, oxidizers NIOSH

Personal Protection:

Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation Provide: Eyewash, Quick drench NIOSH

Exposure Limits:

NIOSH REL : TWA 1 ppm (2 mg/m 3 ) [skin] OSHA PEL ?: none NIOSH

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-0.381	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-0.38	ACD/LogD (pH 7.4):	-0.38
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	14.78	ACD/KOC (pH 7.4):	14.78
#H bond acceptors:	1	#H bond donors:	1
#Freely Rotating Bonds:	1	Polar Surface Area:	20.23 Å²
Index of Refraction:	1.429	Molar Refractivity:	15.31 cm³
Molar Volume:	59.326 cm³	Polarizability:	6.069 10^-24cm³
Surface Tension:	37.9339981079102 dyne/cm	Density:	0.945 g/cm³
Flash Point:	36.111 °C	Enthalpy of Vaporization:	41.038 kJ/mol
Boiling Point:	113.6 °C at 760 mmHg	Vapour Pressure:	10.5559997558594 mmHg at 25°C

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Propargyl alcohol

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Propargyl alcohol

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