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112-30-1

Basic Information
CAS No.: 112-30-1
Name: Decyl alcohol
Molecular Structure:
Molecular Structure of 112-30-1 (Decyl alcohol)
Formula: C10H22O
Molecular Weight: 158.28
Synonyms: Decylalcohol (8CI);1-Hydroxydecane;Alfol 10;Antak;Capric alcohol;Caprinicalcohol;Conol 10N;Decanol;Epal 10;Kalcohl 10;Kalcohl 1098;Kalcohl 10H;Kalcol 1098;NSC 406313;Nacol 10;Nacol 10-99;Nafol 10;Nafol 10D;Nonylcarbinol;Royaltac;Sipol L 10;T 148;n-Decanol;n-Decyl alcohol;1-Decanol;
EINECS: 203-956-9
Density: 0.8297 g/cm3
Melting Point: 6 °C
Boiling Point: 227.8 °C at 760 mmHg
Flash Point: 108 °C
Solubility: insoluble in water
Appearance: colorless viscous liquid
Hazard Symbols: HarmfulXn,DangerousN,IrritantXi
Risk Codes: 20-36/37/38-51/53-36/38
Safety: 26-60-61-37/39-29-36
Transport Information: UN 3082 9/PG 3
PSA: 20.23000
LogP: 3.11940
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  • 1-Decanol

  • Casno:

    112-30-1

    1-Decanol

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Specification

The 1-Decanol with CAS registry number of 112-30-1 is also known as n-Decan-1-ol. The IUPAC name is Decan-1-ol. It belongs to product categories of Pharmaceutical Intermediates; 1-Alkanols; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Its EINECS registry number is 203-956-9. In addition, the formula is C10H22O and the molecular weight is 158.28. This chemical is a colorless viscous liquid and should be stored in sealed containers in cool, dry place and away from oxidizing agents.

Physical properties about 1-Decanol are: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 721.3; (6)ACD/BCF (pH 7.4): 721.3; (7)ACD/KOC (pH 5.5): 3867.59; (8)ACD/KOC (pH 7.4): 3867.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 49.91 cm3; (14)Molar Volume: 191.1 cm3; (15)Surface Tension: 29.8 dyne/cm; (16)Density: 0.828 g/cm3; (17)Flash Point: 101.7 °C; (18)Enthalpy of Vaporization: 53.99 kJ/mol; (19)Boiling Point: 227.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0148 mmHg at 25 °C.

Preparation of 1-Decanol: it is prepared by reaction of coconut oil. The raw material is hydrogenated with mixed oxide catalyst at high temperature and high pressure. Then product is derived by vacuum distillation.

1-Decanol is prepared by reaction of coconut oil.

Uses of 1-Decanol: it is used to produce decanal. The reaction occurs with reagent silica-supported 1-hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide and solvent tetrahydrofuran at 20 °C. The yield is about 96% Chromat. This chemcial is can be used as raw material of surfactants, plasticizers, synthetic fibers, defoamer, herbicides, lubricants, additives and spices, what's more, it is also used as a solvent for inks, etc.

1-Decanol is used to produce decanal.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It's toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Besides, it's harmful by inhalation. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid release to the environment and do not empty into drains. This material and its container must be disposed of as hazardous waste. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCCCCCO
2. InChI: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
3. InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N

The toxicity data is as follows: 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 3gm/m3 (3000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 4gm/m3/2H (4000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 42, 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. 4631, 1982.
mouse LD50 oral 6500mg/kg (6500mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C267, 1991.
rabbit LD50 skin 3560mg/kg (3560mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.
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. 4631, 1982.
rat LD50 oral 4720mg/kg (4720mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.