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Isophorone 异佛尔酮

规格: 97%

CAS: 78-59-1

产品编号: H21861

MDL: MFCD00001584

品牌: INFI

Chemical Name	Isophorone
Synonym	Isophorone {LY} Isophorone {} {LY} Isophorone {} {} {LY} Isophorone {} {} {} {LY} Isophorone {} {} {} {} {LY} Isophorone {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL Number	MFCD00001584
CAS Number	78-59-1
Beilstein Registry Number	7,65
PubChem Substance ID	87571538
EC Number	201-126-0
Merck Number	5196
Reaxys-RN	1280721
Chemical Name Translation	异佛尔酮
Wiswesser Line Notation	L6V BUTJ C1 D1 D1
LabNetwork Molecule ID	LN00220510
Canonical SMILES	O=C1C=C(C)CC(C)(C)C1

GHS Symbol

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 258 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 39,207,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 180 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0571092

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1420 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0535380

TYPE OF TEST            : LCLo - Lowest

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0535380

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 25 ppm
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 28,262,1946

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1870 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 0

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 1250 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 369,243,1996

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 400 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   12,85,1988

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 315,147,1994

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1 gm/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-291,1986

WGK Germany	1
Hazard statements
H351 Suspected of causing cancer 怀疑致癌 H335 May cause respiratory irritation 可能导致呼吸道刺激 H302 Harmful if swallowed 吞食有害 H312 Harmful in contact with skin 皮肤接触有害 H319 Causes serious eye irritation 严重刺激眼睛 H227 Combustible liquid 可燃液体 H302+H312
Personal Protective Equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECS	GW7700000
Precautionary statements
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。 P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P305+P351+P338 P304+P340+P312 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。 P403+P233 P273 Avoid release to the environment. 避免释放到环境中。 P501 Dispose of contents/container to..… 处理内容物/容器..... P405 Store locked up. 上锁保管。 P370+P378 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。 P305+P351+P338+P337+P313 P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P301+P312+P330 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。 P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。 P302+P352+P312+P362+P364 P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。 P201 Obtain special instructions before use. 使用前获取专门指示。 P308+P313
Signal word
Risk Statements
R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害 R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性 R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Safety Statements
S46 If swallowed, seek medical advice immediately and show this container or label 食入时，立即求医并出示容器/标签； S13 Keep away from food, drink and animal foodstuffs 远离食品、饮料和动物饲料保存； S2 Keep out of the reach of children 避免儿童触及； 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； 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；
Hazard Codes
Storage condition	2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing Group	III
UN Number

有机溶剂。

{uni_hamburg} Short: IV/15A

{ALD} Merck: 14,5196

Beilstein:7,65

{ALD} Merck: 14,5196

{uni_hamburg} Short: III/38B

化学属性

Mol. Formula	C9H14O
Mol. Weight	138.21
Refractive index	1.4760 to 1.4790
Autoignition Point	864 °F
Vapor Density	4.77 (vs air)
Boiling Point	213-214 °C at 760 mmHg
Vapor Pressure	0.2 mmHg ( 20 °C)
Density	0.923
Melting Point	-8 °C
Flash Point	84.44°C
TSCA	Yes
Stability	对光敏感
Solubility	微溶于水，易溶于多数有机溶剂。

*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

Isophorone 异佛尔酮

规格: 97%

化学属性

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