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Name	Allyl alcohol	EINECS	203-470-7
CAS No.	107-18-6	Density	0.822 g/cm³
PSA	20.23000	LogP	0.16470
Solubility	Miscible with water	Melting Point	-129 °C
Formula	C₃H₆O	Boiling Point	99 °C at 760 mmHg
Molecular Weight	58.08	Flash Point	22.222 °C
Transport Information	UN 1098 6.1/PG 1	Appearance	colourless liquid with a mustard-like odour
Safety	36/37/39-38-45-61	Risk Codes	10-23/24/25-36/37/38-50
Molecular Structure		Hazard Symbols	T,N
Synonyms	Allylalcohol (8CI);1-Hydroxy-2-propene;1-Propen-3-ol;2-Propenol;2-Propenylalcohol;3-Hydroxy-1-propene;3-Hydroxypropene;NSC 6526;Shell unkrauttod A;Vinylcarbinol;	Article Data	428

Allyl alcohol Synthetic route

: 56-81-5
glycerol

A: 107-18-6
allyl alcohol

B: 116-09-6
hydroxy-2-propanone

C: 107-02-8
acrolein

Conditions

Conditions	Yield
With H3PO4-activated and WOx-loaded montmorillonite nanocatalyst In water at 320℃; for 3h; Reagent/catalyst; Flow reactor;	A n/a B n/a C 67.3%
With phosphorus containing Fe2O3 nanoparticles In water at 320℃; for 24h; Inert atmosphere;
With 10 w% WO3/ZrO2 at 250℃; Temperature; Time; Inert atmosphere;
With HZSM5/Fe/Rb In water at 340℃; under 760.051 Torr; Inert atmosphere;
With oxygen In water at 285℃; under 760.051 Torr; for 1h; Flow reactor;	A 10.65 %Chromat. B 19.63 %Chromat. C 57.96 %Chromat.

: 107-19-7
propargyl alcohol

: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With piperazine; hydrogen In ethanol at 80℃; under 4500.45 Torr; for 24h;	99%
With hydrogen In methanol at 20℃; under 760.051 Torr; for 4.5h; Green chemistry;	98%
With hydrogen In methanol under 760.051 Torr; for 5h;	97%

: 107-02-8
acrolein

: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With hydrogen In water at 110℃; under 22502.3 Torr; for 2.33333h; Reagent/catalyst; Pressure; Temperature;	96%
With sulfuric acid; zinc diacetate; iron(II) sulfate at 25℃; bei der elektrolytischen Reduktion an einer amalgamierten Bleikathode; Reagens 4: Hydrochinon;
With aluminum isopropoxide; isopropyl alcohol

: 383-67-5
allyl trifluoroacetate

A: 75-89-8
2,2,2-trifluoroethanol

B: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere;	A 95% B n/a
With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; triethylamine In toluene at 90℃; under 52505.3 Torr; for 17h; Inert atmosphere; Glovebox;
With C21H35BrMnN2O2P; hydrogen; potassium hydride; 1,3,5-trimethyl-benzene In toluene at 100℃; under 15001.5 Torr; for 60h; Autoclave; Inert atmosphere;	A 97 %Spectr. B 96 %Spectr.
With C21H35BrMnN2O2P; hydrogen; potassium hydride In toluene at 100℃; under 15001.5 Torr; for 60h;	A 97 %Spectr. B 96 %Spectr.

: 72824-04-5
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; water; triethylamine In acetonitrile at 20℃; for 1h;	67%
With sodium periodate; iodobenzene In water; acetonitrile at 80℃; for 8h;	64%

: 56-81-5
glycerol

: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With formic acid at 235℃;	98%
With rhenium trioxide; hydrogen at 140℃; Temperature; Reagent/catalyst; Solvent; Time;	91%
In water at 148℃; for 2.5h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Sealed tube;	91%

: 69161-61-1, 4203-49-0
2-(prop-2-en-1-yloxy)oxane

: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With methanol at 20℃; for 0.5h;	98%
With methanol; zirconium(IV) chloride at 20℃; for 4h;	96%
ruthenium trichloride In water; acetonitrile at 20℃; for 0.333333h;	96%

: 107-05-1
3-chloroprop-1-ene

: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With tetrabutylammomium bromide; water; sodium hydroxide In hexane at 25℃; pH=5;	90%
With water; sodium hydrogencarbonate at 150℃;
With copper; potassium carbonate
With fluoride In gas Rate constant; reaction efficiency;

: 107-19-7
propargyl alcohol

A: 71-23-8
propan-1-ol

B: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
palladium anchored polystyrene In neat (no solvent) at 25℃; under 41371.8 Torr; for 15h;	A 5% B 90%
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics;	A n/a B 85%
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.316667h; Product distribution; Ambient temperature; various time;	A 2.6% B 76.3%

: 57-55-6
propylene glycol

: 107-18-6
allyl alcohol

Conditions

Conditions	Yield
With KOH/ZrO2 In water at 225℃; Reagent/catalyst; Temperature; Solvent;	47%

Allyl alcohol Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Allyl alcohol Standards and Recommendations

OSHA PEL: TWA 2 ppm; STEL 4 ppm (skin)
ACGIH TLV: 0.5 ppm (skin); Not Classifiable as a Human Carcinogen
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
DOT Classification: 6.1; Label: Poison, Flammable Liquid

Allyl alcohol Analytical Methods

For occupational chemical analysis use NIOSH: Alcohols III, 1402.

Allyl alcohol Specification

The Allyl alcohol, also known as 3-Hydroxypropene, is an organic compound with the formula C₃H₆O. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS registry number is 203-470-7. With the CAS registry number 107-18-6, its IUPAC name is prop-2-en-1-ol.

Physical properties of Allyl alcohol: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.128; (3)ACD/LogD (pH 7.4): 0.128; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.958; (7)ACD/KOC (pH 7.4): 27.958; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.402; (12)Molar Refractivity: 17.208 cm³; (13)Molar Volume: 70.655 cm³; (14)Surface Tension: 24.53 dyne/cm; (15)Density: 0.822 g/cm³; (16)Flash Point: 22.222 °C; (17)Enthalpy of Vaporization: 39.45 kJ/mol; (18)Boiling Point: 99.025 °C at 760 mmHg; (19)Vapour Pressure: 22.334 mmHg at 25°C.

Preparation: Allyl alcohol can be obtained by many methods. The hydrolysis of allyl chloride is the traditional route:

CH₂CHCH₂Cl + NaOH → CH₂CHCH₂OH + NaCl

Uses: Allyl alcohol is mainly converted to glycidol, which is a chemical intermediate in the synthesis of glycerol, glycidyl ethers, esters and amines. Also, a variety of polymerizable esters are prepared from allyl alcohol, e.g. diallyl phthalate.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It may present an immediate or delayed danger to one or more components of the environment. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCO
(2)InChI: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
(3)InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	unreported	4270ug/kg (4.27mg/kg)	BEHAVIORAL: COMA GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 25, Pg. 144, 1925.
frog	LDLo	parenteral	51mg/kg (51mg/kg)	BEHAVIORAL: EXCITEMENT GASTROINTESTINAL: NAUSEA OR VOMITING	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
mammal (species unspecified)	LC50	inhalation	1gm/m³ (1000mg/m³)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified)	LD50	oral	70mg/kg (70mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified)	LD50	unreported	66mg/kg (66mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
monkey	LCLo	inhalation	1000ppm/4H (1000ppm)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BLOOD: HEMORRHAGE	JAMA, Journal of the American Medical Association. Vol. 98, Pg. 2269, 1932.
mouse	LC50	inhalation	500mg/m³/2H (500mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 17, 1982.
mouse	LD50	intraperitoneal	60mg/kg (60mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA	AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958.
mouse	LD50	intravenous	78mg/kg (78mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse	LD50	oral	96mg/kg (96mg/kg)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: ATAXIA	AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958.
rabbit	LCLo	inhalation	1000ppm/3.5H (1000ppm)	SENSE ORGANS AND SPECIAL SENSES: IRITIS: EYE BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: DYSPNEA	JAMA, Journal of the American Medical Association. Vol. 98, Pg. 2269, 1932.
rabbit	LD50	oral	52mg/kg (52mg/kg)		National Technical Information Service. Vol. OTS0571508,
rabbit	LD50	skin	45mg/kg (45mg/kg)		Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
rabbit	LDLo	subcutaneous	100mg/kg (100mg/kg)		"Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930.
rat	LC50	inhalation	76ppm/8H (76ppm)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958.
rat	LD50	intraperitoneal	37mg/kg (37mg/kg)		Toxicology and Applied Pharmacology. Vol. 83, Pg. 108, 1986.
rat	LD50	oral	64mg/kg (64mg/kg)		Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.