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2,5-Hexanedione 2,5-己二酮

规格: 99%

CAS: 110-13-4

产品编号: H81570

MDL: MFCD00008792

品牌: INFI

Chemical Name	2,5-Hexanedione
CAS Number	110-13-4
Synonym	Hexane-2,5-dione {LY} Hexane-2,5-dione {} {LY} Hexane-2,5-dione {} {} {LY} Hexane-2,5-dione {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-hexanedione, 98% {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-hexanedione, 98% {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY
EC Number	203-738-3
Beilstein Registry Number	506525
MDL Number	MFCD00008792
Merck Number	71
PubChem Substance ID	8035
Reaxys-RN	506525
Chemical Name Translation	2,5-己二酮
Wiswesser Line Notation	1V2V1
LabNetwork Molecule ID	LN00194763
InChI	InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
Canonical SMILES	O=C(CCC(C)=O)C

GHS Symbol

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,4777,1982

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
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 24,371,1986

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
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,4777,1982

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
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31

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

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 93 gm/kg
SEX/DURATION            : female 6 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - oogenesis
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 76,197,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 14934 mg/kg
SEX/DURATION            : male 3 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacol

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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)
REFERENCE :
   EXMPA6 Experimental and Molecular Pathology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1962-  Volume(issue)/page/year:
   38,149,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   62,262,1982

TYPE OF TEST

Signal word
WGK Germany	2
Safety Statements
S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾； S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护； S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套； S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见； S9 Keep container in a well-ventilated place 保持容器在通风良好的场所； S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements

Precautionary statements
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用 P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。 P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P305+P351+P338 P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。 P332+P313 P501 Dispose of contents/container to..… 处理内容物/容器..... P301+P312+P330 P302+P350 P337+P313 P308+P313 P302+P352+P332+P313+P362+P364 P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。 P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。 P403+P233 P201 Obtain special instructions before use. 使用前获取专门指示。 P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。 P403+P235 P304+P340+P312 P305+P351+P338+P337+P313
RTECS	MO3150000
Hazard statements
H315 Causes skin irritation 会刺激皮肤 H319 Causes serious eye irritation 严重刺激眼睛 H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官 H227 Combustible liquid 可燃液体
Personal Protective Equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes	Xn Xn,Xi Xi
Storage condition	Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

用作合成树脂、硝基喷漆、着色剂、印刷油墨等的高沸点溶剂，皮革鞣制剂，橡胶硫化促进剂以及杀虫剂、药物原料。

{ALD} Merck:14,71

{uni_hamburg} Short: II/27B

{uni_hamburg} Short: III/38B

{uni_hamburg} Short: II/5

{ALF} Primary amines can be protected by conversion to 2,5-dimethylpyrroles, from which they can be released by reaction with hydroxylamine hydrochloride: J. Chem. Soc., Perkin 1, 2801 (1984). The method has been found useful for protecting amino sugars in oligosaccharide synthesis: J. Org. Chem., 63, 4570 (1998), and also in the protection of an arylamine during Cu(I) promoted methoxylation of a ring bromo or iodo substituent; Synthesis, 1599 (1998).

{TRC} Abou-Donia, M., et al.: Biochem. Pharmacol., 27, 2055 (1978),

{ALD} Merck:14,71

Beilstein:1,788

化学属性

Mol. Formula	C6H10O2
Mol. Weight	114.14
Density	0.973
Refractive index	1.4250 to 1.4280
Flash Point	78.89°C
TSCA	Yes
Boiling Point	191 °C(lit.)
Melting Point	−6-−5 °C(lit.)
Vapor Pressure	0.43 mmHg ( 20 °C)
Solubility	易溶于水，易溶于多数有机溶剂。
Stability	对光敏感

*以上化合物性质及应用等信息仅供参考

手性催化剂及配体

合成砌块

医药中间体

2,5-Hexanedione 2,5-己二酮

规格: 99%

化学属性

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