도데칸이산

Dodecanedioic Acid

HCID 12736CAS 693-23-2

기본 정보

표준 SMILES
O=C(O)CCCCCCCCCCC(=O)O
InChIKey
TVIDDXQYHWJXFK-UHFFFAOYSA-N
분자식
C12H22O4
평균 분자량
230.3 g/mol
단동위원소 질량
230.15180918

이름 및 식별자

우선 이름
Dodecanedioic Acid
IUPAC
dodecanedioic acid
현지명
도데칸이산
영어명
Dodecanedioic acid
분자식
C12H22O4
분자량
230.3

이름 및 동의어

DODECANEDIOIC ACID693-23-21,12-Dodecanedioic acid1,10-Decanedicarboxylic acidDecamethylenedicarboxylic acid1,10-DicarboxydecaneDTXSID3027297978YU42Q6INSC-400242CHEBI:4676DTXCID607297dodecandioic acid
이름 더 보기
데카메틸렌디카본산1,10-데칸디카본사도데칸디오산도데칸이산도데칸디오산(DODECANDIOICACID)도데케인다이오익애씨드1,10-다이카복실데칸1,10-데칸다이카복실산n-도데칸디온산SL-AH데카메틸렌디카복실산도데칸다이오산DODECANEDDADDDADODECANEDIOICNylon powderTwelve alkyl acidDC12SL-AH
RefChem:7336211-746-3MFCD00002735n-Dodecanedioic acid1.10-DecanedicNSC400242Dodecanedioicacid53037-60-8

데이터베이스 식별자

CAS
693-23-2
PubChem CID
12736
DTXSID
DTXSID3027297
ChEMBL
CHEMBL3182356
ChEBI
CHEBI:4676
UNII
978YU42Q6I
EC Number
211-746-3
Nikkaji
J43.533C

물성

구조 계산 물성

XLogP
3.2
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
11
무거운 원자 수
16

실험 및 물리화학적 성질

Solubility · 2건

SOL IN HOT TOLUENE, ALC, HOT ACETIC ACID; SLIGHTLY SOL IN HOT WATER

0.04 mg/mL

Melting Point · 2건

130-132 °C

127 - 129 °C

Physical Description · 3건

Liquid; Other Solid; Dry Powder; CBI

White solid; [Hawley]

Solid

물리화학적 성질

녹는점
127 · 127-129 °C (lit.)
끓는 점
245 °C/10 · 245 °C/10 mmHg (lit.)
밀도
1 · 1,15 g/cm3
증기압
21 mm · 21 mm Hg ( 222 °C)
굴절률
1.4437 · 1.4437 (estimate)
인화점
220 °C · 220 °C

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.7% (13 of 481) of reports.

Warning

H315 (10.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 481 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 13 of 481 reports by companies.;There are 14 notifications provided by 468 of 481 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: Dodecanedioic acid

Dodecanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanedioic 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)

Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14886

Dodecanedioic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Dodecanedioic acid: Human health tier I assessment
Hazards SummaryAn eye irritant; [eChemPortal: SIDSUNEP] An irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (10.2%);Eye Irrit. 2A (97.3%)

독성 정보

Interactions · 2건

AT 1.0 MMOL, DICARBOXYLIC ACIDS DECR THE NEUROMUSCULAR INHIBITION PRODUCED BY 10-6 MOL D-TUBOCURARINE IN ISOLATED PHRENIC NERVE HEMIDIAPHRAGM PREPN FROM RATS.

THE BETA-OXIDATION RATE OF DODECANEDIOIC ACID IN RAT LIVER HOMOGENATES WAS DETERMINED BY SIMULTANEOUS MEASUREMENTS OF THE C6-C12 DICARBOXYLIC ACID IN RELATION TO TIME IN ASSAYS INCUBATED WITH DODECANEDIOIC ACID. THE BETA-OXIDN RATE OF C8-C12-DICARBOXYLIC ACIDS WAS INCREASED MANY TIMES IN HOMOGENATES FROM CLOFIBRATE-TREATED RATS. 2.0 MMOL CYANIDE WAS UNABLE TO INHIBIT THE BETA-OXIDN RATE BUT CAUSED MINOR INCREASE IN THE RATE OF BETA-OXIDN IN HOMOGENATES FROM BOTH NORMAL & CLOFIBRATE-TREATED RATS. RESULTS STRONGLY INDICATE THE EXISTENCE OF A PEROXISOMAL BETA-OXIDN OF DICARBOXYLIC ACIDS.

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
Human Toxicity Excerpts · 1건

DODECANEDIOIC ACID WAS ADDED TO DISPERSED CULTURES. HUMAN EPIDERMAL CELLS & MELANOCYTES WERE EXAMINED BY ELECTRON MICROSCOPY AFTER 7, 10, 15, & 30 DAYS. APART FROM A STIMULATION OF MELANOGENESIS, DICARBOXYLIC ACIDS CAUSED NO DETECTABLE DAMAGE TO MELANOCYTES, NOR DID THEY PREVENT GROWTH OF A 2ND GENERATION OF CELLS.

Non-Human Toxicity Excerpts · 1건

THE SIGNIFICANCE OF THE LIPID METABOLIC SITUATION WAS INVESTIGATED IN WISTAR RATS (STARVED, UNSTARVED & DIABETIC KETOTIC) ADMIN DODECANEDIOIC ACID INTRAGASTRICALLY. STARVED AND DIABETIC KETOTIC RATS HAD LARGER EXCRETIONS OF ADIPIC ACID THAN UNSTARVED RATS. THE SUBERIC ACID EXCRETION DID NOT DIFFER SIGNIFICANTLY IN THE THREE GROUPS, BUT THE EXCRETION OF SEBACIC ACID WAS LOWER IN THE DIABETIC GROUP COMPARED WITH THE UNSTARVED AND STARVED RATS.

규제 정보

Regulatory Information · 4건

Chemical: Dodecanedioic acid

Dodecanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanedioic 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)

Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14886

Dodecanedioic acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
-
tsca
TSCA listed
HS 번호
29171990
risk_code
36/37/38-36
hazard_code
Xi
safety_code
26-36-24/25

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Uses · 3건

CIR ingredient: Dodecanedioic Acid

Used as intermediate for plasticizers, lubricants, adhesives, polyesters, and others; [Hawley]

INTERMEDIATE

U.S. Production2023: 5,500,000 - <7,000,000 lb;2022: 10,000,000 - <50,000,000 lb;2021: 5,000,000 - <10,000,000 lb;2020: 1,000,000 - <2,500,000 lb
Consumer UsesAnti-freeze agent
Industry UsesIntermediate;Corrosion inhibitor;Not Known or Reasonably Ascertainable;Plasticizer;Monomers;Lubricating agent;Wetting agent (non-aqueous);Binder;Anti-freeze agent
General Manufacturing Information · 3건

Fabricated Metal Product Manufacturing;Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;Not Known or Reasonably Ascertainable;Adhesive Manufacturing;All Other Chemical Product and Preparation Manufacturing;Other (requires additional information);All Other Basic Organic Chemical Manufacturing;Petroleum Lubricating Oil and Grease Manufacturing;Plastics Product Manufacturing;Wholesale and Retail Trade

Dodecanedioic acid: ACTIVE

DIBASIC ACID ESTERS ARE BETTER COSMETIC MATERIALS THAN CONVENTIONALLY USED LANOLIN OR PETROLATUM IN TERMS OF ODOR, COLOR, STABILITY, AND HOMOGENEITY.

응용 분야 · 2건

개요This acid is used in the production of nylon (nylon - 6,12), polyamides, coatings, adhesives, greases, polyesters, dyestuffs, detergents, flame retardants, and fragrances. It is now produced by fermentation of long-chain alkanes with a specific strain of Candida tropicalis. Its monounsaturated analogue (traumatic acid) is described below.

용도Induced mutation of dodecanedioic acid producing Candida tropicalis.

제조 방법 · 1건

Dodecanedioic acid is prepared from cyc1ododecene (obtained from butadiene) by methods which are entirely analogous to those used to prepare adipic acid from benzene. The cyclododecene is reduced to cyclododecane, which is oxidized firstly to a mixture of cyc1ododecanol and cyclododecanone and then to dodecanedioic acid. Dodecanedioic acid is a colourless crystalline solid, m.p. 129°C.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

추가 설명

정의ChEBI: An alpha,omega-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.

관련 반응

28건

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