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세바식산

Sebacic Acid

HCID 5192
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
111-20-6
표준 SMILES
O=C(O)CCCCCCCCC(=O)O
InChIKey
CXMXRPHRNRROMY-UHFFFAOYSA-N
분자식
C10H18O4
평균 분자량
202.25 g/mol
단동위원소 질량
202.12050906

개요

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.

이름 및 식별자

우선 이름
Sebacic Acid
IUPAC
decanedioic acid
현지명
세바식산
영어명
Sebacic acid
분자식
C10H18O4
분자량
202.25

이름 및 동의어

sebacic acidDECANEDIOIC ACID111-20-61,8-Octanedicarboxylic acid1,10-Decanedioic acidSebacinsaureDecanedicarboxylic acidn-Decanedioic acidAcide sebaciqueSebacinsaeureUSAF HC-1Ipomic acid
이름 더 보기
세바식산세바신산세박산세바크산데칸디오산1,8-옥탄디카르복실산1,10-데칸디오산N-데칸디세바식애씨드세바신산1,10-데칸디오 산1,8-옥탄다이카복실 산데칸디오 산sebacicSabacic acidacidesebaciqueSEBACINIC ACIDSEBACIC ACID pure
1,8-dicarboxyoctaneDTXSID702686797AN39ICTCNSC-19492DTXCID806867FEMA NO. 4943CHEBI:41865RefChem:9117

데이터베이스 식별자

CAS
111-20-6
PubChem CID
5192
DTXSID
DTXSID7026867
ChEMBL
CHEMBL1232164
ChEBI
CHEBI:41865
UNII
97AN39ICTC
EC Number
203-845-5
Nikkaji
J10.109E

물성

구조 계산 물성보충 중

XLogP
2.1
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
9
무거운 원자 수
14
형식 전하
0
복잡도
157

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Cosmetics · 2건

Cosmetic ingredients (Sebacic Acid) -> CIR (Cosmetic Ingredient Review)

Buffering

SpringerMaterials PropertiesBoiling point
Pesticides · 2건

Repellants

Active substance -> EU Pesticides database: Not approved

LogP2.2
Density · 2건

1.2075 at 68 °F (NTP, 1992) - Denser than water; will sink

1.2 g/cm³

Solubility · 3건

less than 1 mg/mL at 70 °F (NTP, 1992)

1.0 mg/mL

Solubility in water, g/100ml: 0.1 (poor)

Flash Point220 °C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 5건

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

Other Safety InformationIMAP assessments - Decanedioic acid: Human health tier I assessment
Fire Hazards · 2건

Flash point data for this compound are not available. It is probably combustible. (NTP, 1992)

Combustible. Finely dispersed particles form explosive mixtures in air.

Health HazardsSYMPTOMS: This compound may cause irritation.
Hazards Summary · 1건

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]

Reactive GroupAcids, Carboxylic

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Uses · 3건

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]

U.S. Production2023: 100,000,000 - <500,000,000 lb
Consumer UsesLubricating agent
Industry UsesWetting agent (non-aqueous)
Use ClassificationCosmetics -> Buffering
General Manufacturing Information · 2건

Paint and Coating Manufacturing

Decanedioic acid: ACTIVE

응용 분야 · 3건

개요Sebacic acid is a dicarboxylic acid with structure (HOOC)(CH2)8(COOH), and is naturally occurring. In its pure state it is a white flake or powdered crystal. The product is described as non-hazardous, though in its powdered form it can be prone to flash ignition (a typical risk in handling fine organic powders). Sebaceus is Latin for tallow candle, sebum (tallow) is Latin for tallow, and refers to its use in the manufacture of candles. Sebacic acid is a derivative of castor oil, with the vast majority of world production occurring in China which annually exports over 20,000 metric tonnes, representing over 90 % of global trade of the product. In the industrial setting, sebacic acid and its homologues such as azelaic acid can be used in plasticizers, lubricants, hydraulic fluids, cosmetics, candles, etc. Sebacic acid is also used as an intermediate for aromatics, antiseptics, and painting materials.

관련 반응

36건
반응 기록 만들기
HRID 231989 반응식
HRID 231989반응물로uspto-grants-1989_07
HRID 328315 반응식
HRID 328315반응물로uspto-grants-1977_04
HRID 342754 반응식
HRID 342754반응물로uspto-grants-1999_01
HRID 345716 반응식
HRID 345716반응물로uspto-grants-1991_10
HRID 356567 반응식
HRID 356567반응물로uspto-grants-1998_11
HRID 386323 반응식
HRID 386323반응물로uspto-grants-2013_02
HRID 443996 반응식
HRID 443996반응물로uspto-grants-1981_04
HRID 618981 반응식
HRID 618981생성물로uspto-grants-1999_09
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Boiling Point · 3건

563 °F at 100 mmHg (NTP, 1992)

364.00 to 365.00 °C. @ 760.00 mm Hg

at 13.3kPa: 294 °C

Melting Point · 3건

274.1 °F (NTP, 1992)

130.8 °C

131 °C

물리화학적 성질

녹는점
133 · 133-137 °C (lit.)
끓는 점
294.5 °C/100 · 294.5 °C/100 mmHg (lit.)
밀도
1.21 · 1.21
증기압
1 mm · 1 mm Hg ( 183 °C)
굴절률
1.422 · 1.422
인화점
220 °C · 220 °C
저장 조건
30 °C · Store below +30°C.
용해도
100 mg/mL · 에탄올: 100mg/mL
물리적 상태
분말 또는 과립
산도 계수 (pKa)
4.59 · 4.59, 5.59(at 25℃)
색상
흰색에서 황백색까지
냄새
단클린 프리즘 정제, 흰색. 분말, 지방산 냄새.
수용성
1 g/L · 1g/L(20℃)
Merck
14 · 14,8415
BRN
1210591 · 1210591
Henry's Law Constant
7.6 · 7.6×107 mol/(m3Pa) at 25℃, Compernolle and Müller (2014)
안정성
안정적인. 타기 쉬운. 강한 산화제, 염기, 환원제와 호환되지 않습니다.
화장품 원료 기능
버퍼링
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)
InChIKey
CXMXRPHRNRROMY-UHFFFAOYSA-N
SMILES
OC(=O)CCCCCCCCC(O)=O
LogP
1.5 at · 1.5 at 23℃
NIST
Decanedioic acid(111-20-6)
EPA
Sebacic acid (111-20-6)

화학적 성질

White flaky crystals. Slightly soluble in water, soluble in alcohol and ether.

Reactivity Profile · 1건

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.

Chemical DangersReacts violently with bases and oxidants.
Physical DangersDust explosion possible if in powder or granular form, mixed with air. If dry, it can be charged electrostatically by swirling, pneumatic transport, pouring, etc.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesNot Classified

안전 및 보호

Fire Fighting · 2건

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 · 4건

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 · 1건

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.

Safe StorageSeparated from strong oxidants and strong bases.
Nonfire Spill Response · 1건

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.

Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. Prevent deposition of dust. Closed system, dust explosion-proof electrical equipment and lighting.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesThe substance can be absorbed into the body by ingestion.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLC50 (rat) > 4,500 mg/m3

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
VS0875000
독성
LD50 orally in Rabbit: 3400 - 14500 mg/kg LD50 dermal Rat > 2000 mg/kg
HS 번호
29171310
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-24/25
기존화학 물질
KE-09402
스토리지 클래스
11 - Combustible Solids

용도Decanedioic acid was named by Thenard LJ (1802) from the Latin sebaceus(tallow candle) or sebum (tallow) in reference to its use in the manufacture of candles. Thenard LJ isolated this compound from distillation products of beef tallow. In 1954, it was reported that it was produced in excess of 10,000 tons annually by alkali fission of castor oil. Sebacic acid and its derivatives, as azelaic acid, have a variety of industrial uses as plasticizers, lubricants, diffusion pump oils, cosmetics, candles, etc. It is also used in the synthesis of polyamide, as nylon, and of alkyd resins. An isomer, isosebacic acid, has several applications in the manufacture of vinyl resin plasticizers, extrusion plastics, adhesives, ester lubricants, polyesters, polyurethane resins and synthetic rubber.

일반 설명White granular powder. Melting point 153°F. Slightly soluble in water. Sublimes slowly at 750 mm Hg when heated to melting point.

제조 방법 · 1건

Sebacic acid is normally made from castor oil, which is essentially glycerol triricinoleate. The castor oil is heated with sodium hydroxide at about 250e. This treatment results in saponification of the castor oil to ricinoleic acid which is then cleaved to give 2-octanol and sebacic acid: This process results in low yields of sebacic acid (about 50% based on the castor oil) but, nevertheless, other routes have not proved competitive. Sebacic acid is a colourless crystalline solid, m.p. 134.

상·하류 제품 정보

상류 원료

LACQUER THINNERSolvent oil No.200Azelaic acid disodium salt소듐캐스터레이트피마자유N-데칸사염화탄소사이클로펜텐수산화나트륨Sebacic acid monosodium salt사이클로펜타논Monoester황산그리스

하류 제품

옥타코산산nylon 1010DL-2-옥탄올다이에틸세바케이트디옥틸 세바케이트1,10-데칸디올Sebacic acid di-n-octyl esterSebaconitrile14-Methylpentadecanoic acid디메틸 세바케이트디카프릴 프탈산1-Pyrenedecanoic acidDiisooctyl sebacate디부틸 세바케이트Cleaning agent메틸10-하이드록시데카노에이트1,4-디옥사시클로테트라데칸-5,14-디온옥타디인(1,7-)세바식디히드라지드
추가 설명 · 1건

정의ChEBI: Sebacic acid is an alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane. It has a role as a human metabolite and a plant metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of a sebacate(2-) and a sebacate. It derives from a hydride of a decane.