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1-Octanol

Chemical properties Uses Production methods
1-Octanol
1-Octanol structure
CAS No.
111-87-5
Chemical Name:
1-Octanol
Synonyms
epal8;alfol8;Epal 8;OCTANOL;Alfol 8;lorol20;Octilin;sipoll8;caprylic;Lorol 20
CBNumber:
CB4157940
Molecular Formula:
C8H18O
Formula Weight:
130.23
MOL File:
111-87-5.mol

1-Octanol Properties

Melting point:
−15 °C(lit.)
Boiling point:
196 °C(lit.)
Density 
0.827 g/mL at 25 °C(lit.)
vapor density 
4.5 (vs air)
vapor pressure 
0.14 mm Hg ( 25 °C)
refractive index 
n20/D 1.429(lit.)
FEMA 
2800 | 1-OCTANOL
Flash point:
178 °F
storage temp. 
Store at +5°C to +30°C.
solubility 
water: partially soluble107g/L at 23°C
form 
liquid
color 
APHA: ≤10
Relative polarity
0.537
explosive limit
0.8%(V)
Water Solubility 
insoluble
λmax
λ: 215 nm Amax: 1.00
λ: 225 nm Amax: 0.50
λ: 235 nm Amax: 0.20
λ: 250 nm Amax: 0.05
λ: 300-400 nm Amax: 0.01
Merck 
14,6751
JECFA Number
97
BRN 
1697461
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents.
InChIKey
KBPLFHHGFOOTCA-UHFFFAOYSA-N
CAS DataBase Reference
111-87-5(CAS DataBase Reference)
NIST Chemistry Reference
1-Octanol(111-87-5)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
  • NFPA
Hazard Codes  Xi
Risk Statements  36/38
Safety Statements  26-36/37-37/39
RIDADR  3082
WGK Germany  1
RTECS  RH6550000
Autoignition Temperature 523 °F
TSCA  Yes
HazardClass  9
PackingGroup  III
HS Code  29051680
Hazardous Substances Data 111-87-5(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
Symbol(GHS):
Signal word: Warning
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H227 Combustible liquid Flammable liquids Category 4 Warning P210, P280, P370+P378, P403+P235,P501
H315 Causes skin irritation Skin corrosion/irritation Category 2 Warning P264, P280, P302+P352, P321,P332+P313, P362
H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning P264, P280, P305+P351+P338,P337+P313P
H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning
H412 Harmful to aquatic life with long lasting effects Hazardous to the aquatic environment, long-term hazard Category 3 P273, P501
Precautionary statements:
P273 Avoid release to the environment.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313 IF eye irritation persists: Get medical advice/attention.
P403+P235 Store in a well-ventilated place. Keep cool.

NFPA 704

Diamond Hazard Value Description
2
1 0
Health   1 Exposure would cause irritation with only minor residual injury (e.g. acetone, sodium bromate, potassium chloride)
Flammability   2 Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur and multiple finely divided suspended solids that do not require heating before ignition can occur. Flash point between 37.8 and 93.3 °C (100 and 200 °F). (e.g. diesel fuel, sulfur)
Instability   0 Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2)
Special  

(NFPA, 2010)

1-Octanol price More Price(39)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 112615 1-Octanol ReagentPlus , 99% 111-87-5 1l $75.9 2018-11-13 Buy
Sigma-Aldrich 112615 1-Octanol ReagentPlus , 99% 111-87-5 4l $197 2018-11-13 Buy
TCI Chemical O0036 1-Octanol >99.0%(GC) 111-87-5 25mL $14 2018-11-22 Buy
TCI Chemical O0036 1-Octanol >99.0%(GC) 111-87-5 500mL $20 2018-11-22 Buy
Alfa Aesar A15977 1-Octanol, 99% 111-87-5 2500ml $80.2 2018-11-13 Buy

1-Octanol Chemical Properties,Uses,Production

Chemical properties

Colorless oily liquid; Boiling point 195℃; relative density 0.822-0.830; refractive index 1.428-1.431; flash point 82.5℃; soluble in 5 volumes of 50% ethanol or 3 volumes of 60% ethanol and oil, acid value <1.0. This product has dry sweet and sharp fat wax aroma, and also has citrus, orange peel and rose flavor, like the bottom note of parsnip root creams, the duration time of which is not long. And it also has grease and fruit smell, as well as sweet and slight grass flavor.

Uses

1. 1-octanol can be appropriately used in roses, jasmine, lilac, sweet tofu pudding, honey, orange blossom, citrus, parsnip root, cologne, pine needles and other types. And n-octanol can coordinate with roses, ylang-ylang, parsnip root, orange oil and linalool. Trace n-octanol can also be used in edibile peaches, pineapple, coconut, chocolate, citrus and fruit-based flavors.
2. 1-octanol is mainly used in the production of plasticizers, extractants, stabilizers, and also used as solvents and spices intermediates. In the field of plasticizers, octanol is generally referred to 2-ethyl alcohol, which is a megaton bulk raw materials and is more valuable than n-octanol in the industry. Octanol itself is also used as spices, blending roses, lilies and other floral fragrance to make soap perfume. China's GB2760-86 provides for the allowed use of this product for food spices. And it is mainly used to prepare coconut, pineapple, peach, chocolate and citrus flavor.
3. 1-octanol can be used as raw material for perfume, octyl aldehyde, octanoic acid and its ester. It can also be used as solvent, antifoaming agent and lubricating oil additive.
4. Used for the preparation of spices, but also for solvents and antifoaming agents
5. Used as surfactants, solvents, defoamers, industrial additives, etc.
6. Used as solvents, flavoring agents and defoamers. Replace amyl alcohol to reduce ketones in organic synthesis. Used for manufacturing perfume, and also used as gas chromatography analysis standards.

Production methods

Octanol exists in the form of free state or acetate, butyrate and isovalerate esters bitter in orange, grapefruit, sweet orange, green tea, violet leaves and other essential oils. In industrial production, octanol can be obtained by the reduce of octyl aldehyde or the esterification of the octanoic acid in coconut oil. Octanol can also be prepared through carbonyl synthesis with heptene-1 as the raw material. Heptene, carbon monoxide and hydrogen can react in the presence of cobalt salt at 150-170 °C and under high pressure of 20-30MPa to generate aldehyde. After cobalt removal, the above aldehyde is converted into primary alcohol by pressurized hydrogenation with the catalyst of nickel. There has been mature production technology of this method in foreign countries.

Chemical Properties

colourless liquid with a penetrating odour

Uses

1-Octanol is an fatty acid alcohol that is used industrially to form various synthetic intermediate and pharmaceuticals.

Uses

1-Octanol is a synthetic flavoring agent that is a colorless, stable liquid of sharp fatty odor. it is soluble in alcohol, most fixed oils, mineral oil, and propylene glycol. it should be stored in glass or tin containers. it is used in essential oils for application in beverages, candy, and baked goods at 1–3 ppm. it is also available in the natural form, obtained from natural precursors. it is also termed octyl alcohol.

Definition

ChEBI: An octanol carrying the hydroxy group at position 1.

General Description

A clear colorless liquid with a penetrating aromatic odor. Insoluble in water and floats on water. Vapors heavier than air. Vapors may irritate the eyes, nose, and respiratory system.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Attacks plastics [Handling Chemicals Safely 1980. p. 236]. Acetyl bromide reacts violently with alcohols or water [Merck 11th ed. 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: an explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid [Chem. Eng. News 45(43):73. 1967; J, Org. Chem. 28:1893. 1963]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites [NFPA 491 M. 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].

Health Hazard

Irritates skin and eyes.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. Mutation data reported. A skin irritant. Combustible liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water foam, fog, alcohol foam, dry chemical, CO2. See also ALCOHOLS.

Purification Methods

Fractionally distil it under reduced pressure. Dry it with sodium and again fractionally distil or reflux with boric anhydride and re-distilled (b 195-205o/5mm), the distillate being neutralised with NaOH and again fractionally distilled. Also purify it by distillation from Raney nickel and by preparative GLC. [Beilstein 1 IV 1756.]

1-Octanol Preparation Products And Raw materials

Raw materials

Preparation Products


1-Octanol Suppliers

Global( 288)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Shenzhen Sendi Biotechnology Co.Ltd.
0755-23311925 18102838259
0755-23311925 Abel@chembj.com CHINA 3203 55
Mainchem Co., Ltd.
+86-0592-6210733
+86-0592-6210733 sales@mainchem.com CHINA 32457 55
Chemwill Asia Co.,Ltd.
86-21-51086038
86-21-51861608 chemwill_asia@126.com;sales@chemwill.com;chemwill@hotmail.com;chemwill@gmail.com CHINA 24001 58
Hubei Jusheng Technology Co.,Ltd.
86-188-71490254
peter@hubeijusheng.com CHINA 20095 58
Hebei Huanhao Biotechnology Co., Ltd.
86-0311-83975816 whatsapp +8618034554576
86-0311-83975816 grace@hbhuanhao.com CHINA 682 58
Shanghai Zheyan Biotech Co., Ltd.
18017610038
zheyansh@163.com CHINA 3623 58
career henan chemical co
+86-371-86658258
sales@coreychem.com CHINA 19923 58
Shanghai Aladdin Bio-Chem Technology Co.,LTD 021-20337333/400-620-6333
021-50323701 sale@aladdin-e.com China 24991 65
Shandong Dong Ajinyuan Chemical Co., Ltd. 18963573761
18963573761 530335301@qq.com China 18 58
J & K SCIENTIFIC LTD. 400-666-7788 +86-10-82848833
+86-10-82849933 jkinfo@jkchemical.com;market6@jkchemical.com China 96815 76

View Lastest Price from 1-Octanol manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2018-08-03 1-Octanol
111-87-5
US $12.00 / KG 1KG 98% 1000KG career henan chemical co
2018-09-19 octan-1-ol
111-87-5
US $40.00 / KG 1KG 99% 20 MT Hebei Huanhao Biotechnology Co., Ltd.

1-Octanol Spectrum


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