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Sebacic acid(CAS No. 111-20-6)

Sebacic acid C10H18O4 (cas 111-20-6) Molecular Structure

111-20-6 Structure

Identification and Related Records

【Name】
Sebacic acid
【CAS Registry number】
111-20-6
【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(EC#)】
203-845-5
【Molecular Formula】
C10H18O4 (Products with the same molecular formula)
【Molecular Weight】
202.25
【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)
【InChIKey】
CXMXRPHRNRROMY-UHFFFAOYSA-N
【Canonical SMILES】
C(CCCCC(=O)O)CCCC(=O)O
【MOL File】
111-20-6.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
1.21
【Melting Point】
131-134℃
【Boiling Point】
294.4℃ (100 mmHg)
【Vapour】
1.24E-06mmHg at 25°C
【Refractive Index】
1.422
【Flash Point】
220℃
【Water】
1 g/L (20℃)
【Solubilities】
1 g/L in water
【Stability】
Stable. Combustible. Incompatible with strong oxidizing agents, bases, reducing agents.
【HS Code】
29171310
【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.
【Computed Properties】
Molecular Weight:202.24752 [g/mol]
Molecular Formula:C10H18O4
XLogP3:2.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:9
Exact Mass:202.120509
MonoIsotopic Mass:202.120509
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Formal Charge:0
Complexity:157
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:265

Safety and Handling

【Hazard Codes】
Xi:Irritant
【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

【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.

Use and Manufacturing

【Usage】

Raw material in the production of synthetic resins of the alkylated or polyester type, non-migrating plasticizers, polyester rubbers, synthetic fibers of the polyamide type.

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
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Telephone:86-27-83214668
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Diamond member Hangzhou Dayangchem Co., Ltd.
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Diamond member AOPHARM
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Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Hangzhou J&H Chemical Co., Ltd
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Business Type:Manufacturer
Telephone:86-571-87396430
Hui Chem Company Limited
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Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
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Business Type:Manufacturer
Telephone:86-27-87465837
Wuhan Haizheng Industry & Trade Development Co. Ltd
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Business Type:Manufacturer
Telephone:86-27-88660577
Shenzhen Simeiquan Biotechnology Co.Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-20-18102838259

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