Basic information
- Name:
1-Octadecanol
- CAS No.:
112-92-5
- Molecular Structure:
- Formula:
- C18H38O
- Molecular Weight:
- 270.56
- Deleted CAS:
- 193766-48-2|8014-37-7|8032-19-7|8032-21-1|8034-90-0
- Synonyms:
- 1-Hydroxyoctadecane;1-Stearyl alcohol;Adol 62;Adol 64;Adol 68;Alfol 18;Alfol 18NF;Atalco S;CO 1895;CO 1895F;CO 1897;Cachalot S 43;Conol 1675;Conol 30F;Conol 30S;Conol 30SS;Crodacol S;Crodacol S 70;Crodacol S 95;Crodacol S 95 NF;Hainol18SS;Hyfatol 18-95;Hyfatol 18-98;Kalchol 8098;Kalcohl 80;Kalcohl 8098;Kalcohl 8099;Kalcol 8098;Lanette 18;Lanette 18DEO;Lanol S;Laurex 18;Lorol28;Lorol C 18;NSC 5379;Octadecanol;Octadecyl alcohol;Rofamol;Sipol S;Siponol S;Siponol SC;Stearic alcohol;Stearol;Stearyl alcohol;Steraffine;Tego alkanol 18;VLTN 6;n-Octadecanol;n-Octadecyl alcohol;
- EINECS:
- 204-017-6
- Density:
- 0.837 g/cm3
- Melting Point:
- 55-58 °C
- Boiling Point:
- 334.3 °C at 760 mmHg
- Flash Point:
- 138.7 °C
- Solubility:
- insoluble in water
- Appearance:
- White flakes
- Safety Description:
- 24/25 Details
- Transport Information:
- UN 1986
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Specification
The IUPAC name of 1-Octadecanol is octadecan-1-ol. With the CAS registry number 112-92-5 and EINECS 204-017-6, it is also named as Stearyl alcohol. The product's categories are Industrial / Fine Chemicals; 1-Alkanols; Biochemistry; Higher Fatty Acids & Higher Alcohols; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Saturated Higher Alcohols. It is white flakes which is soluble in alcohol, benzene, chloroform, insoluble in water. When heated to decomposition it emits acrid smoke and irritating fumes. Additionally, this chemical should be sealed in the container, avoided direct sunshine and stored in the cool and well-ventilated place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 8.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.31; (4)ACD/LogD (pH 7.4): 8.31; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 17; (8)Polar Surface Area: 9.23 Å2; (9)Index of Refraction: 1.45; (10)Molar Refractivity: 86.97 cm3; (11)Molar Volume: 323.1 cm3; (12)Polarizability: 34.47×10-24 cm3; (13)Surface Tension: 31.4 dyne/cm; (14)Enthalpy of Vaporization: 66.88 kJ/mol; (15)Vapour Pressure: 9.11E-06 mmHg at 25°C; (16)Rotatable Bond Count: 16; (17)Exact Mass: 270.292266; (18)MonoIsotopic Mass: 270.292266; (19)Topological Polar Surface Area: 20.2; (20)Heavy Atom Count: 19; (21)Complexity: 145.
Preparation of 1-Octadecanol: It can be obtained from stearic acid by the process of catalytic hydrogenation.
Uses of 1-Octadecanol: It is used as an emollient, emulsifier, and thickener in ointments of various sorts, and is widely used as a hair coating in shampoos and hair conditioners. It is also used as an ingredient in lubricants, resins, perfumes and cosmetics. What's more, this chemical is used as a liquid solar blanket in swimming pools by forming a molecule thick layer on the surface of the water and slowing the evaporation rate of the pool water. In addition, it is used to produce 1-chloro-octadecane. This reaction needs reagent HCl at temperature of 140-150 °C.
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People can use the following data to convert to the molecule structure.
1. SMILES:OCCCCCCCCCCCCCCCCCC
2. InChI:InChI=1/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
3. InChIKey:GLDOVTGHNKAZLK-UHFFFAOYAZ
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 20gm/kg (20000mg/kg) | "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 1, Pg. 722, 1978. |
