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Home> Encyclopedia > Hot Product Listed S   > sebacic acid
111-20-6 structure

sebacic acid

Iupac Name:decanedioic acid
CAS No.:111-20-6
EINECS(EC#): 203-845-5
Molecular Weight:202.24800
Molecular Formula:C10H18O4 (isomer)
Names and Identifiers
Synonyms

1,10-decanedioic acid 1,8-octanedicarboxylic acid decane-1,10-dioic acid Decanedioic Decanedioic Acid octane-1,8-dicarboxylic acid sebacinsaure Sebacinsure Seracic acid

Inchi
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChkey
CXMXRPHRNRROMY-UHFFFAOYSA-N
Canonical Smiles
C(CCCCC(=O)O)CCCC(=O)O
Properties
Appearance
white powder
Density
1.21
Melting Point
133-137°C(lit.)
Boiling Point
294.5°C100mm Hg(lit.)
Vapour
1.24E-06mmHg at 25°C
Refractive Index
1.422
Flash Point
220 °C
Solubility
1 g/L in water
Other physical and chemical properties
PHYSICAL DESCRIPTION: White granular powder. Melting point 153°F. Slightly soluble in water;. Sublimes slowly at 750 mm Hg when heated to melting point.
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, bases, reducing agents.
HS Code
2917131000
Storage temp
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. No special precautions indicated.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26-S36
Safety

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

Toxicity

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.

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.

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:202.24800g/mol
  • Molecular Formula:C10H18O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.1
  • Exact Mass:202.121
  • Monoisotopic Mass:202.121
  • Complexity:157
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAAACAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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