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己二酸

己二酸用途

Adipic acid 被发现与 HMG-CoA 裂解酶缺乏症,肉毒碱激酶缺乏症,中链酰基脱氢酶缺乏症相关,这些都是天生代谢异常导致的。

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己二酸名称

[ CAS 号 ]:
124-04-9

[ 中文名 ]:
己二酸

[ 英文名 ]:
Adipic acid

[中文别名 ]:

[英文别名 ]:

Acifloctin
1,6-Hexanedioic acid
Adilactetten
1,4-Butanedicarboxylic acid
EINECS 204-673-3
hexane-1,6-dicarboxylic acid
hexanedioic acid
Acinetten
Adipic acid
MFCD00004420

己二酸生物活性

[ 描述 ]:

Adipic acid 被发现与 HMG-CoA 裂解酶缺乏症,肉毒碱激酶缺乏症,中链酰基脱氢酶缺乏症相关,这些都是天生代谢异常导致的。

[ 相关类别 ]:

天然产物 >> 酸和醛

研究领域 >> 代谢疾病

[ 靶点 ]

Human Endogenous Metabolite

[参考文献]

[1]. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center. METAGENE consortium.

[相关活性小分子]

己二酸物理化学性质

[ 密度 ]:
1.3±0.1 g/cm3

[ 沸点 ]:
338.5±15.0 °C at 760 mmHg

[ 熔点 ]:
151-154 °C(lit.)

[ 分子式 ]:
C₆H₁₀O₄

[ 分子量 ]:
146.141

[ 闪点 ]:
196 ºC

[ 精确质量 ]:
146.057907

[ PSA ]:
74.60000

[ LogP ]:
0.08

[ 外观性状 ]:
白色结晶粉末

[ 蒸汽密度 ]:
5 (vs air)

[ 蒸汽压 ]:
0.0±1.6 mmHg at 25°C

[ 折射率 ]:
1.476

[ 储存条件 ]:
包装完整、轻装轻卸,库房通风、远离明火、高温、与氧化剂分开存放

[ 稳定性 ]:
Stable. Substances to be avoided include ammonia, strong oxidizing agents.

[ 水溶解性 ]:
1.44 g/100 mL (15 ºC)

己二酸MSDS

己二酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AU8400000

CHEMICAL NAME :: Adipic acid

CAS REGISTRY NUMBER :: 124-04-9

BEILSTEIN REFERENCE NO. :: 1209788

LAST UPDATED :: 199712

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C6-H10-O4

MOLECULAR WEIGHT :: 146.16

WISWESSER LINE NOTATION :: QV4VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,315,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >11 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(9),72,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 275 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Blood - hemorrhage

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 5,759,1957

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1900 mg/kg

TOXIC EFFECTS :: Gastrointestinal - other changes

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 5,759,1957

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 680 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Blood - hemorrhage

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 5,759,1957

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >11 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(9),72,1983 *** REVIEWS *** ACGIH TLV-TWA 5 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 4 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84427 No. of Facilities: 1068 (estimated) No. of Industries: 21 No. of Occupations: 42 No. of Employees: 14846 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84427 No. of Facilities: 6259 (estimated) No. of Industries: 54 No. of Occupations: 66 No. of Employees: 140635 (estimated) No. of Female Employees: 77996 (estimated)

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己二酸安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H319

[ 警示性声明 ]:
P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant

[ 风险声明 (欧洲) ]:
R36

[ 安全声明 (欧洲) ]:
S26

[ 危险品运输编码 ]:
UN 9077

[ WGK德国 ]:
1

[ RTECS号 ]:
AU8400000

[ 危险类别 ]:
9.2

[ 海关编码 ]:
2917120001

己二酸合成路线

己二酸上下游产品

己二酸上游产品

己二酸下游产品

己二酸制备

1．环己烷氧化法　环己烷在钴催化剂作用下，第一步氧化生成环己醇和环己酮，反应条件为150～-160℃，810～1013kPa。环己醇和环己酮再经硝酸氧化生成己二酸。反应条件为60～80℃，100～400kPa。粗品经重结晶精制得到成品　

2．丁二烯两步羰化法　以丁二烯和一氧化碳为原料，先使丁二烯转化为3-戊烯酸甲酯，再经羰化制己二酸二甲酯，最后经水解而得。

３．环己烯水合氧化法　以苯和氢为原料进行苯部分加氢制得环己烯，再经水合生成环己醇，将环己醇用硝酸氧化生产己二酸。

4.可用环己酮或环己醇经硝酸氧化制得，然后用浓硝酸处理粗品，进行重结晶制得纯品。

5. 烟草：OR，44；FC，54；合成：可由苯酚氢化成环己醇再经催化氧化，或由糠醛脱羰成呋喃、加氢成四氢呋喃，再在高温高压下与一氧化碳作用，或由己二胺水解而得。也可在酸性溶液中氧化环己酮或在碱性溶液中用空气氧化环己酮制备。

6.制法：

于装有搅拌器、回流冷凝器，360℃温度计和滴液漏斗的1L反应瓶中，加入硝酸（d1.32）420g，加热至几乎沸腾，加入钒酸铵0.1g，剧烈搅拌下滴加1mL环己醇（2），继续搅拌数分钟至反应开始，有氧化氮气放出。冷至55～60℃，滴加环己醇62.5g（0.62mol），保持

55～60℃之间，1.5h左右加完。加完后沸石浴加热至无氧化氮放出^①。冷后析出结晶。抽滤，水洗，空气中干燥，得己二酸（1）52g。母液浓缩后可得己二酸10g。用热水重结晶，得己二酸55g，收率61.1%，mp151～150℃^②。注：①反应中放出二氧化氮气体，应在通风橱中进行反应，放出的二氧化氮气体用水吸收。②己二酸也可用高猛酸钾氧化环己醇成环己酮制备。

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己二酸海关

[ 海关编码 ]: 2917120001

[ 申报要素 ]: 品名, 成分含量, 用途, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分

[ 监管条件 ]: A.入境货物通关单 B.出境货物通关单

[ 检验检疫 ]: R.进口食品卫生监督检验 S.出口食品卫生监督检验

[ Summary ]:
HS: 2917120001 adipic acid Tax rebate rate:13.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

己二酸文献

HMDB: a knowledgebase for the human metabolome.

Nucleic Acids Res. 37(Database issue) , D603-10, (2009)

The Human Metabolome Database (HMDB, http://www.hmdb.ca) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, ...

Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.

Clin. Chem. 40(6) , 862-6, (1994)

Organic acid concentrations were quantified by gas chromatography and the individual acids identified by mass spectrometry in urine specimens from a healthy Turkish pediatric population of ages 2 days...

Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach.

J. Nutr. 142(1) , 14-21, (2012)

Urine and plasma metabolites originate from endogenous metabolic pathways in different organs and exogenous sources (diet). Urine and plasma were obtained from advanced cancer patients and investigate...

更多文献

己二酸

己二酸用途

己二酸名称

己二酸生物活性

己二酸物理化学性质

己二酸MSDS

详细MSDS(安全技术说明书)

己二酸毒性和生态

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

己二酸安全信息

己二酸合成路线

详细合成路线

己二酸上下游产品

己二酸上游产品

己二酸下游产品

己二酸制备

己二酸海关

己二酸文献

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