2-庚酮

2-庚酮用途

【用途一】
用于有机合成
【用途二】
微量适用于香石竹或其他辛香型，在药草香型中可与草蒿或罗勒、海索油共用，形成新的头香香韵。与辛香、果香类香料能协调和合得好。在食用香精中，用于香蕉型食用香精中可增加乳脂香味，也适用于椰子、奶油、乳酪香味的食用香精。
【用途三】
GB 2760一96规定为允许使用的食用香料。主要用于配制干酪、香蕉、奶油和椰子等型香精。
【用途四】
用作工业溶剂和香料的合成，如用于制石竹油之组分等。

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2-庚酮名称

[ CAS 号 ]:
110-43-0

[ 中文名 ]:
2-庚酮

[ 英文名 ]:
2-Heptanone

[中文别名 ]:

[英文别名 ]:

Amyl Methyl Ketone
Butylacetone
heptan-2-one
16O-2-heptanone
Ketone C-7
methyl-n-amyl ketone
2-Heptanal
heptan-2
MFCD00009513
2-Heptanon

2-庚酮物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
151.2±3.0 °C at 760 mmHg

[ 熔点 ]:
-35 °C

[ 分子式 ]:
C₇H₁₄O

[ 分子量 ]:
114.186

[ 闪点 ]:
47.2±0.0 °C

[ 精确质量 ]:
114.104462

[ PSA ]:
17.07000

[ LogP ]:
1.97

[ 外观性状 ]:
无色液体

[ 蒸汽密度 ]:
3.94 (vs air)

[ 蒸汽压 ]:
4.7±0.3 mmHg at 25°C

[ 折射率 ]:
1.404

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

[ 稳定性 ]:
Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.

[ 水溶解性 ]:
4.3 g/L (20 ºC)

2-庚酮MSDS

详细MSDS(安全技术说明书)

2-庚酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ5075000

CHEMICAL NAME :: 2-Heptanone

CAS REGISTRY NUMBER :: 110-43-0

BEILSTEIN REFERENCE NO. :: 1699063

LAST UPDATED :: 199712

DATA ITEMS CITED :: 31

MOLECULAR FORMULA :: C7-H14-O

MOLECULAR WEIGHT :: 114.21

WISWESSER LINE NOTATION :: 5V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1670 mg/kg

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

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/11/1958

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4000 ppm/4H

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

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

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

REFERENCE :: 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4757,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 730 mg/kg

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

REFERENCE :: APJUA8 Acta Pharmaceutica Jugoslavica. (FDH, Masarykova 2, 41000 Zagreb, Yugoslavia) V.1-41, 1951-1991. Volume(issue)/page/year: 12,79,1962

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

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

REFERENCE :: 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4757,1982

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 12600 uL/kg

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

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 45500 mg/kg/13W-I

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,625,1972 *** REVIEWS *** ACGIH TLV-TWA 233 mg/m3 (50 ppm) 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 100 ppm (465 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: 3,157,1971 OSHA PEL (Gen Indu):8H TWA 100 ppm (465 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 100 ppm (465 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 100 ppm (465 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 100 ppm (465 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 50 ppm (235 mg/m3) JAN 1993 OEL-BELGIUM:TWA 50 ppm (233 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-FINLAND:TWA 50 ppm (230 mg/m3);STEL 75 ppm (345 mg/m3) JAN 1993 OEL-FRANCE:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 100 ppm (465 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (235 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (240 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO METHYL AMYL KETONE-air:10H TWA 100 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 36340 No. of Facilities: 489 (estimated) No. of Industries: 10 No. of Occupations: 8 No. of Employees: 3345 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 36340 No. of Facilities: 5080 (estimated) No. of Industries: 62 No. of Occupations: 47 No. of Employees: 78196 (estimated) No. of Female Employees: 17866 (estimated)

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2-庚酮安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H226-H302 + H332

[ 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) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R10;R20/22

[ 安全声明 (欧洲) ]:
S36-S24/25

[ 危险品运输编码 ]:
UN 2810 6.1/PG 3

[ WGK德国 ]:
2

[ RTECS号 ]:
MJ5250000

[ 包装等级 ]:
III

[ 危险类别 ]:
3

[ 海关编码 ]:
2942000000

2-庚酮合成路线

详细合成路线

2-庚酮上下游产品

2-庚酮上游产品

2-庚酮下游产品

2-庚酮制备

1.由丁基乙酰乙酸乙酯皂化而得：将丁基乙酰乙酸乙酯加入5%的氢氧化钠溶液中，在室温搅拌4h，静置分层，油层为未皂化的原料，分出再用。水层和50%的硫酸反应，当反应释放二氧化碳变得缓和时，慢慢加热使反应物沸腾，蒸出原总体积的0.33-0.5%。蒸出物用固体氢氧化钠调成碱性，然后蒸出80-90%。将此蒸出物分层，分层出酮，水层再蒸出1/3，蒸出物分出酮后，水层继续蒸出1/3，如此重复进行，尽可能收集生成的2-庚酮。将所得的2-庚酮合并，用氯化钙溶液洗涤。干燥后蒸馏即得成品，收率50-60%。

2.提取法：由丁香油或桂皮油萃取而得。

3.n-丁基乙酰乙酸乙酯法其反应式如下：

4.在室温下用氢氧化钠皂化丁基乙酰基乙酸乙酯，再加入硫酸，加热蒸馏，馏出物用氢氧化钠中和，蒸馏，加氯化钙浓溶液除去残存乙醇，再经干燥并蒸馏而得。精制方法：加氧化钡干燥后蒸馏。

5.将正丁基乙酰乙酸乙酯加到5%的氢氧化钠溶液中，室温下搅拌4h。静置分层，取水层，加入50%的硫酸进行反应（所用碱和酸均稍过量），同时放出二氧化碳：

当放出的二氧化碳比较平缓时，开始慢慢加热使溶液沸腾，蒸出原总体积的1/3～1/2，收集后用固体氢氧化钠调成碱性，然后再蒸出80%～90%。蒸出物静置分层，分出酮层，水层重新蒸出1/3，静置分出酮层，水层再蒸出1/3，如此反复蒸发，分层，尽可能收集生成的2-庚酮。合并每次蒸出的酮层，用氯化钙溶液洗涤数次，至醇含量合格，然后加入无水氯化钙干燥脱水，过滤后蒸馏，收集148～150℃ 馏分（99.98kPa），即为成品。

6.制法：

于装有搅拌器的反应瓶中，加入正丁基乙酰乙酸乙酯（2）186g（1mol），1L（5%）的氢氧化钠水溶液，室温剧烈搅拌反应5h。以少量的苯提取，以除去未反应的酯。将其慢慢倒入100mL（50%）的硫酸中，立即有二氧化碳气体逸出。至二氧化碳逸出缓慢后，加热蒸馏。馏出物用浓的氢氧化钠调至碱性，再进行蒸馏。分出油层，水层再蒸馏，再分出油层。合并有机层，无水硫酸钠干燥，分馏，收集148～150℃的馏分，得2-庚酮（1）65g，收率56%。

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2-庚酮海关

[ 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-庚酮文献

The EpiOcular Eye Irritation Test (EIT) for hazard identification and labelling of eye irritating chemicals: protocol optimisation for solid materials and the results after extended shipment.

Altern. Lab. Anim. 43 , 101-27, (2015)

The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the hum...

Identification of olfactory receptor neurons in Uraba lugens (Lepidoptera: Nolidae) and its implications for host range.

J. Insect Physiol. 78 , 33-46, (2015)

Phytophagous insects detect volatile compounds produced by host and non-host plants, using species-specific sets of olfactory receptor neurons (ORNs). To investigate the relationship between the range...

Mosquito odorant receptor for DEET and methyl jasmonate.

Proc. Natl. Acad. Sci. U. S. A. 111(46) , 16592-7, (2014)

Insect repellents are important prophylactic tools for travelers and populations living in endemic areas of malaria, dengue, encephalitis, and other vector-borne diseases. DEET (N,N-diethyl-3-methylbe...

更多文献

2-庚酮

2-庚酮用途

2-庚酮名称

2-庚酮物理化学性质

2-庚酮MSDS

详细MSDS(安全技术说明书)

2-庚酮毒性和生态

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

2-庚酮安全信息

2-庚酮合成路线

详细合成路线

2-庚酮上下游产品

2-庚酮上游产品

2-庚酮下游产品

2-庚酮制备

2-庚酮海关

2-庚酮文献

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