基本情報
- 標準SMILES
O=C(O)CCCCCCCCC(=O)O- InChIKey
CXMXRPHRNRROMY-UHFFFAOYSA-N- 分子式
- C10H18O4
- 平均分子量
- 202.25 g/mol
- 単同位体質量
- 202.12050906
概要
Sebacic acid is a white granular powder. Melting point 153 °F. Slightly soluble in water. Sublimes slowly at 750 mmHg when heated to melting point.
名称と識別子
- 優先名称
- Sebacic Acid
- IUPAC
- decanedioic acid
名称と別名
名称をさらに表示
データベース識別子
- CAS
111-20-6- PubChem CID
- 5192
- DTXSID
DTXSID7026867- ChEMBL
CHEMBL1232164- ChEBI
CHEBI:41865- UNII
- 97AN39ICTC
- EC Number
- 203-845-5
- Nikkaji
- J10.109E
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 157
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Sebacic Acid) -> CIR (Cosmetic Ingredient Review)
Buffering
Pesticides
Repellants
Active substance -> EU Pesticides database: Not approved
Density
1.2075 at 68 °F (NTP, 1992) - Denser than water; will sink
1.2 g/cm³
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
1.0 mg/mL
Solubility in water, g/100ml: 0.1 (poor)
Boiling Point
563 °F at 100 mmHg (NTP, 1992)
364.00 to 365.00 °C. @ 760.00 mm Hg
at 13.3kPa: 294 °C
Melting Point
274.1 °F (NTP, 1992)
130.8 °C
131 °C
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 99.5% (2752 of 2766) of all reports.
Not Classified
Aggregated GHS information provided per 2766 reports by companies from 9 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Decanedioic acid
Decanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanedioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2004/129/EC
Status: Active Update: 23-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29447
Decanedioic acid: Non hazardous
Fire Hazards
Flash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Combustible. Finely dispersed particles form explosive mixtures in air.
Hazards Summary
Causes somnolence, excitement, and effects on food intake in oral lethal-dose studies of rats; Causes impaired liver function tests and effects on CNS in repeated-dose inhalation studies of rats; [RTECS] No listed effects of short-term or long-term exposure (health effects not fully investigated); [ICSC] May cause irritation; [NTP] May cause irritation; [Acros Organics MSDS]
Reactivity Profile
SEBACIC ACID reacts exothermically to neutralize bases, both organic and inorganic. May react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Can react with active metals to form gaseous hydrogen and a metal salt. Such reactions are slow in the dry, but systems may absorb enough water from the air to allow corrosion of iron, steel, and aluminum parts and containers. Reacts slowly with cyanide salts to generate gaseous hydrogen cyanide. Reacts with solutions of cyanides to cause the release of gaseous hydrogen cyanide. May generate flammable and/or toxic gases and heat with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. May react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Can be oxidized exothermically by strong oxidizing agents and reduced by strong reducing agents. May initiate polymerization reactions.
安全と保護具
Fire Fighting
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Use foam, dry powder, carbon dioxide.
First Aid Measures
Fresh air, rest.
Rinse and then wash skin with water and soap.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth.
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
毒性情報
化学と産業
薬理情報
用途と製造
Uses
CIR ingredient: Sebacic Acid
Used as a raw material for alkyd and polyester resins, plasticizers, polyester rubbers, and polyamide synthetic fibers; [Merck Index] Used as a topical emollient; [ExPub: TERIS] Used as a stabilizer in alkyd resins, maleic and other polyesters, polyurethanes, and fibers; Also used in paint products, candles, perfumes, low temperature lubricants, and hydraulic fluids, and to make nylon; [NTP]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
General Manufacturing Information
Paint and Coating Manufacturing
Decanedioic acid: ACTIVE
関連反応
関連ノート
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