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4-tert-Butylcyclohexanone 对叔丁基环己酮

规格: 99%

CAS: 98-53-3

产品编号: H27786

MDL: MFCD00001642

品牌: INFI

Chemical Name	4-(1,1-Dimethylethyl)cyclohexanone
CAS Number	98-53-3
PubChem Substance ID	87564018
EC Number	202-678-5
Beilstein Registry Number	507309
MDL Number	MFCD00001642
Reaxys-RN	507309
Synonym	4-(tert-Butyl)cyclohexanone {LY} 4-(tert-Butyl)cyclohexanone {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)c
Chemical Name Translation	4-(1,1-二甲基乙基)环己酮
InChIKey	YKFKEYKJGVSEIX-UHFFFAOYSA-N
Wiswesser Line Notation	L6VTJ DX1&1&1
LabNetwork Molecule ID	LN00010546
InChI	InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
Canonical SMILES	O=C1CCC(C(C)(C)C)CC1

GHS Symbol

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,729,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,729,1975

WGK Germany	2
Hazard statements
H302 Harmful if swallowed 吞食有害 H303+H313 H315 Causes skin irritation 会刺激皮肤 H319 Causes serious eye irritation 严重刺激眼睛 H335 May cause respiratory irritation 可能导致呼吸道刺激 H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment	dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes	Xi
RTECS	GW1140000
Precautionary statements
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 P305+P351+P338 P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
Signal word	Warning
Safety Statements
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； S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

{SA}

Beil. 7 ,IV,82

{SA}

FT-IR 2 (1), 676:D / FT-IR 1 (1), 434:D / FT-NMR 1 (1), 671:B / IR-Spectra (2), 230:F / IR-Spectra (3), 257:H / NMR-Reference 2 (1), 397:B / RegBook 1 (1), 471:J / Sax 6 , 579 / Sigma FT-IR 1 (2), 353:B / Structure Index 1 , 67:A:4 / Vapor Phase 3 , 519:D

98-53-3 H27786 4-tert-Butylcyclohexanone 对叔丁基环己酮

化学属性

Mol. Formula	C10H18O
Mol. Weight	154.25
Boiling Point	225.1°C at 760 mmHg
Melting Point	47-50°C
Density	0.893
Flash Point	96°C
TSCA	Yes

*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

4-tert-Butylcyclohexanone 对叔丁基环己酮

规格: 99%

化学属性

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