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1-Dodecanol

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1-Dodecanol

EINECS 203-982-0
CAS No. 112-53-8 Density 0.831 g/cm3
Solubility insoluble in water Melting Point 22-27 °C
Formula C12H26O Boiling Point 258 °C at 760 mmHg
Molecular Weight 186.33 Flash Point 115.4 °C
Transport Information UN 3077 9/PG 3 Appearance white low melting crystalline solid
Safety 61-37/39-29-26-60-36 Risk Codes 38-50-50/53-36/38-36/37/38
Molecular Structure Molecular Structure of 112-53-8 (1-Dodecanol) Hazard Symbols IrritantXi,DangerousN
Synonyms

Dodecyl alcohol;Lauryl Alcohol;Dodecyl Alcohol;1-Dodecanol;Alcohol C12,Dodecyl alcohol,Lauryl alcohol;

 

1-Dodecanol Consensus Reports

Reported in EPA TSCA Inventory.

1-Dodecanol Specification

The IUPAC name of Dodecyl alcohol is dodecan-1-ol. With the CAS registry number 112-53-8, it is also named as 1-Hydroxydodecane. 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, and the other registry numbers are 1322-35-6; 68855-55-0; 8014-32-2; 8032-08-4; 8032-09-5; 8032-10-8. Besides, it is white low melting crystalline solid, which reacts with oxoacids and carboxylic acids to form esters plus water. In addition, its molecular formula is C12H26O and molecular weight is 186.33.

The other characteristics of 1-Dodecanol can be summarized as:
(1)EINECS: 203-982-0; (2)ACD/LogP: 5.13; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.13; (5)ACD/LogD (pH 7.4): 5.13; (6)ACD/BCF (pH 5.5): 4631.99; (7)ACD/BCF (pH 7.4): 4631.99; (8)ACD/KOC (pH 5.5): 14640.28; (9)ACD/KOC (pH 7.4): 14640.28; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 11; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 59.17 cm3; (15)Molar Volume: 224.1 cm3; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.831 g/cm3; (18)Flash Point: 115.4 °C; (19)Melting point: 22-27 °C; (20)Enthalpy of Vaporization: 57.56 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.00209 mmHg at 25 °C.

Preparation of 1-Dodecanol:
This chemical can be obtained from palm kernel or coconut oil fatty acids and methyl esters by reduction. Furthermore, it is produced by dodecanoic acid.

This reaction needs NaBH4, CF3COOH, catechol and tetrahydrofuran at the temperature of 25 °C for 4 hours. The yield is 91 %.

Uses of 1-Dodecanol:
This chemical can be used to make surfactants, lubricating oils, and pharmaceuticals. It is also used as an emollient in cosmetics. Besides, it can react with formaldehyde to get 1-chloromethoxy-dodecane.

This reaction needs Me3SiCl. The yield is 98 %.

Safety information of 1-Dodecanol:
When you are using 1-Dodecanol, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, please do not empty into drains. It is also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. Additionally, please avoid release to the environment, and refer to special instructions / safety data sheets. 
 
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCCCCCCCCCO
(2)InChI: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
(3)InChIKey: LQZZUXJYWNFBMV-UHFFFAOYSA-N

The toxicity data of 1-Dodecanol is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 10mL/kg (10mL/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.
rat LD50 oral > 12800mg/kg (12800mg/kg)   Medizin und Ernaehrung. Vol. 8, Pg. 244, 1967.

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