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111-20-6

Basic Information
CAS No.: 111-20-6
Name: Sebacic acid
Article Data: 221
Cas Database
Molecular Structure:
Molecular Structure of 111-20-6 (Sebacic acid)
Formula: C10H18O4
Molecular Weight: 202.251
Synonyms: Sebacic acids;1, 10-Decanedioic acid;Sebacicacid;1,10-decanedioic acid;Sebacinsaeure;Decanedioic acid;Usaf hc-1;Decanedicarboxylic acid;1,8-Octanedicarboxylic acid;
EINECS: 203-845-5
Density: 1.106 g/cm3
Melting Point: 131–134.5 °C
Boiling Point: 374.3 °C at 760 mmHg
Flash Point: 198.3 °C
Solubility: 1 g/L in water
Appearance: white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 74.60000
LogP: 2.27640
Synthetic route
112-38-9

10-undecenoic acid

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With ozone; sodium hydroxide In methanol; dichloromethane at -78 - 20℃; for 6h;100%
With sodium periodate; RuCl3*2.9H2O In water at 20℃; for 0.75h; Sonication;85%
Stage #1: 10-undecenoic acid With ozone; acetic acid In dichloromethane Inert atmosphere;
Stage #2: With semicarbazide hydrochloride at 0 - 20℃; for 48h; Inert atmosphere;
83%
1871-96-1

sebaconitrile

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 2h;99%
With water for 48h; Rhodococcus rhodochrous AJ270;89%
With potassium phosphate buffer; Rhodococcus sp. AJ270 at 30℃; for 48h;89%
5169-82-4

4,7-dioxo-1,10-decanedioic acid

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 20 - 180℃; under 22801.5 Torr; for 10.5h; Reagent/catalyst; Pressure; Temperature;98%
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave;88%
With sodium carbonate anschliessend Hydrierung an Raney-Nickel bei 250grad/150at;
112-47-0

1,10-Decanediol

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With periodic acid; pyridinium chlorochromate In acetonitrile98%
With Oxone; 2-Iodobenzoic acid In water; acetonitrile at 70℃; for 6h;97%
With periodic acid; tripropylammonium fluorochromate (VI) In acetonitrile at 0℃;96%

C42H54O4Si2

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With water; N,N-dimethyl-formamide at 70℃; for 1.5h; Green chemistry; chemoselective reaction;93%

C28H58O4Si2

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With water; N,N-dimethyl-formamide at 70℃; for 1.5h; Green chemistry; chemoselective reaction;91%

Decanedioic acid mono-(3-methyl-but-2-enyl) ester

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With iodine In cyclohexane for 24h; Ambient temperature;90%

Decanedioic acid bis-(3-methyl-but-2-enyl) ester

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With iodine In cyclohexane for 24h; Ambient temperature;90%
59694-62-1

10-acetoxydecane-1-ol

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; water; sodium hydroxide at 80℃; under 600.06 Torr; for 6h;90%
3618-12-0

Cyclodecene

111-20-6

1,10-decanedioic acid

Conditions
ConditionsYield
With periodic acid; ruthenium trichloride In tetrachloromethane; water; acetonitrile at 20℃; for 2h; Ring cleavage; oxidation;87%
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    Sebacic acid Product Name: Sebacic acid Molecular Weight: 202.25 CAS NO: 111-20-6 EC NO: 203-845-5 Molecular Formula: C10H18O4

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Chemistry

Molecular Structure of Sebacic acid (CAS NO.111-20-6):

IUPAC Name: decanedioic acid 
Empirical Formula: C10H18O4
Molecular Weight: 202.2475
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 9
Index of Refraction: 1.475
Molar Refractivity: 51.5 cm3
Molar Volume: 182.8 cm3
Surface Tension: 44.9 dyne/cm
Density: 1.106 g/cm3
Flash Point: 198.3 °C
Enthalpy of Vaporization: 68.26 kJ/mol
Boiling Point: 374.3 °C at 760 mmHg
Vapour Pressure: 1.24E-06 mmHg at 25°C
Water Solubility: 1 g/L (20 ºC)
Merck: 14,8415
BRN: 1210591
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, bases, reducing agents
Melting point: 131–134.5 °C
Solubility in water: 0.25 g/L
InChI
InChI=1/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
Smiles
C(CCCCCCCCC(O)=O)(O)=O
EINECS: 203-845-5
Product Categories: Intermediates; alpha,omega-Alkanedicarboxylic Acids; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes; Organic Chemicals

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC inhalation > 900mg/m3 (900mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(5), Pg. 48, 1980.
mammal (species unspecified) LD50 intraperitoneal 1175mg/kg (1175mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(5), Pg. 48, 1980.
mammal (species unspecified) LD50 oral > 11gm/kg (11000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(9), Pg. 72, 1983.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 6gm/kg (6000mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
rat LC50 inhalation > 4500mg/m3 (4500mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(2), Pg. 17, 1992.
rat LD50 oral 14375mg/kg (14375mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(2), Pg. 17, 1992.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S25:Avoid contact with eyes. 
S36:Wear suitable protective clothing.
WGK Germany: 1
RTECS: VS0875000
HS Code: 29171310

Specification

 Sebacic acid , with CAS number of 111-20-6, can be called decanedioic acid ; Sebacic acid ; 1, 10-Decanedioic acid ; 1,10-decanedioic acid ; Decanedioic acid ; 1,8-Octanedicarboxylic acid ; decanedioate . It is a white powder,  Sebacic acid (CAS NO.111-20-6) is also used as an intermediate for antiseptics,aromatics and painting materials. Sebacic acid (CAS NO.111-20-6) is a low toxic substance, with flammability, burning will produce toxic fumes, so it should be stored in cool and dry environment, dry powder, foam, sand, carbon dioxide, water mist can be used if something urgent happened.

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