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1-Nonanol

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Name

1-Nonanol

EINECS 205-583-7
CAS No. 143-08-8 Density 0.826 g/cm3
PSA 20.23000 LogP 2.72930
Solubility 1 g/L (20 ºC) Melting Point ?8-?6°C(lit.)
Formula C9H20O Boiling Point 211.617 °C at 760 mmHg
Molecular Weight 144.257 Flash Point 97.778 °C
Transport Information UN 3082 9/PG 3 Appearance colourless to light yellow liquid
Safety 23-24/25-61-29 Risk Codes 20-51/53
Molecular Structure Molecular Structure of 143-08-8 (1-Nonanol) Hazard Symbols HarmfulXn, DangerousN
Synonyms

Nonyl alcohol(8CI);1-Hydroxynonane;NSC 5521;Octyl carbinol;Pelargonic alcohol;n-Nonan-1-ol;n-Nonyl alcohol;n-Nonanol;

Article Data 236

1-Nonanol Synthetic route

124-19-6

nonan-1-al

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With tri-n-butyl-tin hydride In methanol; diethyl ether for 4h; Reduction; Heating;100%
With hydrogenchloride; tetrahydrogenoboratebis(triphenylphosphine)copper(I) In dichloromethane94%
With hydrogenchloride; samarium In tetrahydrofuran at 20℃;94%
7289-51-2

methyl n-nonyl ether

A

74-88-4

methyl iodide

B

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With Methyltrichlorosilane; sodium iodide In acetonitrile at 25℃; for 9h;A n/a
B 100%
7289-51-2

methyl n-nonyl ether

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With Methyltrichlorosilane; sodium iodide In acetonitrile at 25℃; for 9h;100%
112-05-0

nonanoic acid

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With [ReOCl2(1,2-bis(diphenylphosphino)ethane)]; hydrogen; potassium tetraphenylborate In toluene at 150℃; under 30003 Torr; for 30h; Autoclave; Inert atmosphere;99%
With hydrogen In hexane at 250℃; under 30003 Torr; for 3h;96.9%
With sodium tetrahydroborate; titanium tetrachloride In 1,2-dimethoxyethane for 14h; Ambient temperature;93%
88773-83-5

decyloxy-tetrahydro-2H-pyran

143-08-8

nonyl alcohol

Conditions
ConditionsYield
Nafion-H In methanol for 5h;98%
With magnesium bromide In diethyl ether for 4h; Ambient temperature;95%
13038-21-6

non-8-en-1-ol

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With formic acid; tri-tert-butyl phosphine; palladium diacetate In tetrahydrofuran at 20℃; for 12h;97%
With formic acid; tri-tert-butyl phosphine; palladium diacetate In tetrahydrofuran at 20 - 60℃; for 12h;97%
71733-81-8

tert-Butyl-dimethyl-nonyloxy-silane

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In dichloromethane at 20℃; for 0.0833333h; atmospheric pressure;96%
124-11-8

non-1-ene

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With zinc borohydride; silica gel In 1,2-dimethoxyethane for 0.5h; Ambient temperature;95%
With zinc borohydride; silica gel In 1,2-dimethoxyethane for 0.5h; Ambient temperature; other alkenes: regioselective anti-Markovnikov hydration;95%
With zinc borohydride; silica gel In N,N-dimethyl-formamide for 0.5h; Ambient temperature;75%

triisopropyl-nonyloxy-silane

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In dichloromethane at 20℃; for 7h; atmospheric pressure;94%
79137-09-0

1-Methoxymethoxy-nonane

143-08-8

nonyl alcohol

Conditions
ConditionsYield
With magnesium bromide In diethyl ether for 36h; Ambient temperature;93%

1-Nonanol Specification

This chemical is called 1-Nonanol, and its systematic name is nonan-1-ol. With the molecular formula of C9H20O, its molecular weight is . The CAS registry number of this chemical is 143-08-8, and its product categories are 1-Alkanols; Monofunctional & Alpha,Omega-Bifunctional Alkanes; Monofunctional Alkanes. In additon, this chemical is colorless to slightly yellow liquid with a citrus odor similar to citronella oil, and it should be stored sealed in the cool and dry plcace.

Other characteristics of the 1-Nonanol can be summarised as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.386; (4)ACD/LogD (pH 7.4): 3.386; (5)ACD/BCF (pH 5.5): 220.465; (6)ACD/BCF (pH 7.4): 220.465; (7)ACD/KOC (pH 5.5): 1655.651; (8)ACD/KOC (pH 7.4): 1655.651; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 45.28 cm3; (15)Molar Volume: 174.602 cm3; (16)Polarizability: 17.95×10-24cm3; (17)Surface Tension: 29.509 dyne/cm; (18)Density: 0.826 g/cm3; (19)Flash Point: 97.778 °C; (20)Enthalpy of Vaporization: 52.098 kJ/mol; (21)Boiling Point: 211.617 °C at 760 mmHg; (22)Vapour Pressure: 0.041 mmHg at 25°C.

Production method of this chemical: The 1-Nonanol could be obtained by the reactant of nonanal. This reaction needs the reagent of Bu3SnH, and the solvents of methanol and diethyl ether. The yield is 100 %. In addition, this reaction should be taken for 4 hours, and the other condition is heating.

Uses of this chemical:  The primary use of nonanol is in the manufacture of artificial lemon oil. Various esters of nonanol, such as nonyl acetate, are used in perfumery and flavors.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation. Do not breathe vapour. Avoid contacting with skin and eyes. It's also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Do not pull it into drains. Avoid releasing it to the environment. Refer to special instructions / safety data sheets when you use it.

You can still convert the following datas into molecular structure: 
1.SMILES: CCCCCCCCCO
2.InChI: InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
3.InChIKey: ZWRUINPWMLAQRD-UHFFFAOYAC

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 4360mg/m3 (4360mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mammal (species unspecified) LD50 unreported 19gm/kg (19000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 5500mg/m3/2H (5500mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 94, 1982.
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4628, 1982.
mouse LD50 oral 6400mg/kg (6400mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4628, 1982.
rabbit LD50 skin 5660uL/kg (5.66mL/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.
Link to PubMed
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4628, 1982.
rat LD50 oral 3560mg/kg (3560mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.
Link to PubMed

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