2,5-己二酮
2,5-己二酮用途
2,5-己二酮名称
[ CAS 号 ]:
110-13-4
[ 中文名 ]:
2,5-己二酮
[ 英文名 ]:
Acetonylacetone
[中文别名 ]:
[英文别名 ]:
- EINECS 203-738-3
- α,β-Diacetylethane
- 1,2-Diacetylethane
- 2,5-HEXADIONE
- MFCD00008792
- Hexane-2,5-dione
- 4-01-00-03688 (Beilstein Handbook Reference)
- 2,5-Hexanedione
- Acetonylacetone
- a,b-Diacetylethane
2,5-己二酮物理化学性质
[ 密度 ]:
0.9±0.1 g/cm3
[ 沸点 ]:
188.8±13.0 °C at 760 mmHg
[ 熔点 ]:
−6-−5 °C(lit.)
[ 分子式 ]:
C6H10O2
[ 分子量 ]:
114.142
[ 闪点 ]:
78.9±0.0 °C
[ 精确质量 ]:
114.068077
[ PSA ]:
34.14000
[ LogP ]:
-0.27
[ 外观性状 ]:
透明淡棕色液体
[ 蒸汽压 ]:
0.6±0.4 mmHg at 25°C
[ 折射率 ]:
1.406
[ 储存条件 ]:
库房通风低温干燥
[ 稳定性 ]:
Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable.
[ 水溶解性 ]:
miscible
2,5-己二酮MSDS
2,5-己二酮毒性和生态
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MO3150000
- CHEMICAL NAME :
- 2,5-Hexanedione
- CAS REGISTRY NUMBER :
- 110-13-4
- BEILSTEIN REFERENCE NO. :
- 0506525
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 39
- MOLECULAR FORMULA :
- C6-H10-O2
- MOLECULAR WEIGHT :
- 114.16
- WISWESSER LINE NOTATION :
- 1V2V1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2076 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2000 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2386 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 6600 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 38 gm/kg/15W-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - structural change in nerve or sheath Behavioral - muscle weakness
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 28 gm/kg/4W-C
- TOXIC EFFECTS :
- Behavioral - muscle weakness Biochemical - Metabolism (Intermediary) - other proteins Related to Chronic Data - changes in testicular weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 23520 mg/kg/6W-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - structural change in nerve or sheath Biochemical - Metabolism (Intermediary) - lipids including transport
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 15982 mg/kg/46D-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from peripheral motor nerve
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16800 mg/kg/8W-C
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Autonomic Nervous System - other (direct) parasympathomimetic Biochemical - Metabolism (Intermediary) - other proteins
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 21 gm/kg/21W-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from afferent nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9800 mg/kg/35D-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from afferent nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 24 gm/kg/12W-I
- TOXIC EFFECTS :
- Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - muscle weakness
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18551 mg/kg/13W-I
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - sensory change involving peripheral nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 19200 mg/kg/32D-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16 mL/kg/20D-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - structural change in nerve or sheath
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16 gm/kg/8W-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Peripheral Nerve and Sensation - structural change in nerve or sheath Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6300 mg/kg/28D-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5250 mg/kg/3W-I
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 6210 mg/kg/17W-I
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - structural change in nerve or sheath Behavioral - muscle weakness
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 1440 mg/kg/6W-I
- TOXIC EFFECTS :
- Behavioral - ataxia Behavioral - changes in psychophysiological tests Peripheral Nerve and Sensation - recording from peripheral motor nerve
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 94517 mg/kg/24W-C
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 1575 mg/kg/3W-C
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 9 gm/kg/90D-I
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Behavioral - ataxia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 9 gm/kg/90D-I
- TOXIC EFFECTS :
- Spinal Cord - demyelination Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - spastic paralysis with or without sensory change
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 4200 mg/kg
- SEX/DURATION :
- male 42 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 28 gm/kg
- SEX/DURATION :
- male 28 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 28 gm/kg
- SEX/DURATION :
- male 28 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 14934 mg/kg
- SEX/DURATION :
- male 3 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 3400 mg/kg
- SEX/DURATION :
- female 12-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 93 gm/kg
- SEX/DURATION :
- female 6 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - oogenesis
MUTATION DATA
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TEST SYSTEM :
- Yeast - Saccharomyces cerevisiae
- DOSE/DURATION :
- 105 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 341,83,1994 *** REVIEWS *** TOXICOLOGY REVIEW ARPTDI Annual Review of Pharmacology and Toxicology. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.16- 1976- Volume(issue)/page/year: 22,145,1982
2,5-己二酮安全信息
[ 符号 ]:
GHS07, GHS08
[ 信号词 ]:
Warning
[ 危害声明 ]:
H315-H319-H373
[ 警示性声明 ]:
P305 + P351 + P338
[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ 危害码 (欧洲) ]:
Xi:Irritant;
[ 风险声明 (欧洲) ]:
R36/37/38
[ 安全声明 (欧洲) ]:
S23-S26-S36/37-S37/39
[ 危险品运输编码 ]:
NONH for all modes of transport
[ WGK德国 ]:
2
[ RTECS号 ]:
MO3150000
[ 包装等级 ]:
I; II; III
[ 海关编码 ]:
2942000000
2,5-己二酮合成路线
2,5-己二酮上下游产品
2,5-己二酮上游产品
2,5-己二酮下游产品
2,5-己二酮制备
1.由2,5-二甲基呋喃水解而得。另一个合成方法是乙酰乙酸乙酯钠与纯碘反应生成二乙酰琥珀酸二乙酯，再将其与10%氢氧化钠溶液进行水解。用无水碳酸钾使反应液饱和，析出丙酮基丙酮。用乙醚提取，从提取液蒸去乙醚后，蒸馏剩余物，收集192-194℃馏分得无色产品。
2.精制方法：主要杂质是水和酸性杂质。精制方法是用无水硫酸钙或无水硫酸钠干燥后精馏。
3. 烟草：FC，40。
4.制法：
二乙酰琥珀酸二乙酯（3）：于装有搅拌器、滴液漏斗、回流冷凝器（顶部装氯化钙干燥管）的反应瓶中，加入无水乙醚300mL，金属钠丝4.5g（0.2mol），冷却下慢慢滴加乙酰乙酯（2）26g（0.2mol），控制滴加速度，不要使反应过于剧烈，也不要使乙醚沸腾。加完后放置过夜，生成白色凝胶状沉淀。搅拌下慢慢滴加25g（0.1mol）研细的碘于75mL无水乙醚的溶液，直至溶液完全褪色为止（有微量碘的颜色）。过滤除去碘化钠。蒸出乙醚，剩余物用冰醋酸重结晶，得无色结晶二乙酰琥珀酸二乙酯（3）16.5g，mp78℃，收率65%。将化合物（3）16.5g加入反应瓶中，再加入10%的氢氧化钠溶液160mL，回流反应3～4h。冷却后用无水碳酸钾使碱性溶液饱和，析出油状物。用乙醚提取三次。蒸出乙醚后，以蒸馏法纯化，收集192～195℃的馏分，得无色液体丙酮基丙酮（1）4.8g，收率65%。
5.制法：
将3-己炔-2,5-二醇（2）228mg（2mmol）、IrH5（i-Pr3P）2 41mg（0.04mmol）、甲苯10mL置于封管中，于110℃反应40h。冷至室温，减压蒸出溶剂。将剩余的红色物减压蒸馏，收集90℃/266Pa的馏分，得无色2,5-己二酮，收率70%。
2,5-己二酮海关
[ 海关编码 ]: 2914190090
[ 中文概述 ]:
2914190090 其他不含其他含氧基的无环酮。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
[ 申报要素 ]: 品名, 成分含量, 用途, 丙酮报明包装
[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
2,5-己二酮文献
Appl. Microbiol. Biotechnol. 98(12) , 5471-85, (2014)
A previously unidentified oxidoreductase from Escherichia coli catalyzes the regioselective reduction of eukaryotic steroid hormone 11-deoxycorticosterone (11-DOC) to the valuable bioactive product 4-...
2,5-hexanedione altered the degradation of low-molecular-weight neurofilament in rat nerve tissues.Food Chem. Toxicol. 50(12) , 4277-84, (2012)
Occupational exposure to n-hexane produces a central-peripheral distal axonopathy, which is characterized by giant axonal swellings filled with neurofilaments (NFs). To investigate the change of NFs d...
Alternative biomarkers of n-hexane exposure: characterization of aminoderived pyrroles and thiol-pyrrole conjugates in urine of rats exposed to 2,5-hexanedione.Toxicol. Lett. 224(1) , 54-63, (2014)
The identification of pyrrole derivatives in urine of rats exposed to 2,5-hexanedione (2,5-HD), was performed to select an adequate peripheral biomarker predictive of 2,5-HD neurotoxicity. Studies on ...
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￥348.0/100ml
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相关化合物
【2,5-己二酮】化源网提供2,5-己二酮CAS号110-13-4，2,5-己二酮MSDS及其说明、性质、英文名、生产厂家、作用/用途、分子量、密度、沸点、熔点、结构式等。CAS号查询2,5-己二酮上化源网，专业又轻松。>>电脑版：2,5-己二酮
标题：2,5-己二酮_MSDS_用途_密度_CAS号【110-13-4】_化源网 地址：https://m.chemsrc.com/mip/cas/110-13-4_1027942.html