CAS 591-78-6 MFCD00009482-2-Hexanone 2-己酮 TAO{mole}

2-Hexanone 2-己酮

CAS 591-78-6 MFCD00009482

化学结构图

SMILES: CCCCC(C)=O

化学属性

Mol. Formula	C₆H₁₂O
Mol. Weight	100.16
Refractive index	1.3990 to 1.4030
Boiling Point	127°C
Density	0.812
Melting Point	-57
Flash Point	23°C(lit.)
TSCA	Yes
Vapor Pressure	10 mmHg ( 39 °C)
Solubility	微溶于水，可混溶于乙醇、甲醇、苯。
Stability	对光敏感

别名和识别编码

Chemical Name	2-Hexanone
Synonym	2-HEXANONE 2-Hexanon 2-Hexanone {} {} {} {} {} {} {ALF} n-Butyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} ketone,butylmeth {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} hexanone-2 {} {} {} {} {} {} {} {} {} {Chemicalbook} N-BUTYL METHYL KETONE {} {} {} {} {} {} {} {} {} {} {Chemi {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Methyl-n-butylketon {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Methyl n-butyl ketone {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} Methyl buthyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemi {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} METHYL N-BUTYL KETONE {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} Hexanone-2 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} CIS3HEXANOL {} {} {} {} {} {
CAS Number	591-78-6
PubChem Substance ID	87570560
EC Number	209-731-1
Beilstein Registry Number	1(4)3298
MDL Number	MFCD00009482
Reaxys-RN	1737676
Merck Number	6033
Chemical Name Translation	2-己酮
Wiswesser Line Notation	4V1
LabNetwork Molecule ID	LN00009867
InChI	InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

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分类

{Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
{SNA} Additional Standards, Alpha Sort, Analytical Standards, Chromatography, E-L, Environmental Standards, F-L, Food and Cosmetic Component Standards, Organic Pollutant Standards, Standards for Personal Care and Cosmetic Products, Volatile & Semivolatile Standards, Volatiles/ Semivolatiles, neats, prohibited substances (EU-REGULATION No 1223/2009), 分析/色谱
{SNA} Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography, E-L, Environmental St
{SNA} Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography,

产品应用

溶剂。从盐酸溶液中提取三氯化铁。有机合成。

安全信息

GHS Symbol

WGK Germany1

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes T 3

RTECSMP1400000

Precautionary statements

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。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241+P242+P243
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。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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。
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。
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。
P301+P310+P331
P303+P361+P353
P304+P340
P304+P340+P312
P305+P351+P338
P305+P351+P338+P337+P313
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。
P337+P313
P370+P378
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

UN Number 1224

Risk Statements

R10 Flammable 易燃
R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R11 Highly flammable 非常易燃
R62 Possible risk of impaired fertility 有削弱生殖能力的危险
R48/23
R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Safety Statements

S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S7 Keep container tightly closed 保存在严格密闭容器中；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
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；
S36/37/39 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；

Packing GroupIII

Hazard Class3

Storage condition 2-8°C 4 Flammables area 密封避光保存

Warnings 危化品目录(2015)

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 1,78,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2430 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 30,13,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 914 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RalRL# Personnal Communication from R.L. Raleigh, Assistant Director of
   Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974
   Volume(issue)/page/year: 01MAR1974

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 1000 ppm
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - headache
   Gastrointestinal - nausea or vomiting
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Ins

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 48 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            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1000 ppm/6H
SEX/DURATION            : female 1-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - gastrointestinal
   system
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   EESADV Ecotoxicology and Environmental Safety.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1977-  Volume(issue)/page/year:
   5,291,1981

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2000 ppm/6H
SEX/DURATION            : female 1-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   EESADV Ecotoxicology and Environmental Safety.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1977-  Volume(issue)/page/year:
   5,291,1981

Restrict 危险品

其他信息

毒性分级:中毒
食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称允许使用该种添加剂的食品中文名称添加剂功能最大允许使用量（g/kg）最大允许残留量（g/kg） 3-己醇食品食品用香料用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
MOL 文件:623-37-0.mol
FEMA:3351
方法一:可由顺式-3-己烯经硼氢化反应而得。
Sigma Aldrich:591-78-6(sigmaaldrich)
爆炸物危险特性:与空气混合可爆
类别:易燃液体
上游原料:正-3-己烯
Alfa Aesar:3-己醇,98% 3-Hexanol, 98%(623-37-0)
用途一:GB 2760--1997规定为允许使用的食品用香料。
用途一:用作溶剂和有机合成中间体。该品易燃，能与空气形成爆炸性混合物。
图谱信息:2-己酮(591-78-6)核磁图( 13 CNMR) 2-己酮(591-78-6)红外图谱(IR1) 2-己酮(591-78-6)Raman光谱 2-己酮(591-78-6)质谱(MS) 2-己酮(591-78-6)红外图谱(IR2)
图谱信息:3-己醇(623-37-0)红外图谱(IR2) 3-己醇(623-37-0)核磁图( 13 CNMR) 3-己醇(623-37-0)红外图谱(IR1) 3-己醇(623-37-0)Raman光谱 3-己醇(623-37-0)质谱(MS) 3-己醇(623-37-0)核磁图( 1 HNMR)
MSDS 信息
外观性质:无色液体，有丙酮的气味。
MSDS 信息:2-己酮(591-78-6).msds
Acros Organics:2-己酮 2-Hexanone, 98%(591-78-6)
参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥97.0% 折射率(n D 20 ) 1.414～1.418 相对密度(d 20 20 ) 0.818～0.822
使用限量:FEMA(mg/kg)：软饮料、冷饮、布丁类、涂抹食品，均1.0；糖果和焙烤制品2.0。
职业标准:TLV-TWA 5 PPM
3-己醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0132 3-己醇 3-Hexanol 25ML 701元 2010/05/25 B20210 3-己醇, 98% 3-Hexanol, 98% 25g 770元 2010/05/25 B20210 3-己醇, 98% 3-Hexanol, 98% 100g 2856元
毒性:GRAS(FEMA)。
方法一:
{Chemicalbook
2-己酮价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 K2027001 2-己酮;丙基丙酮;甲基丁基酮;甲基正丁基甲酮;甲丁酮 100ml 924元 2011/08/23 xp400306 2-己酮;丙基丙酮;甲基丁基酮;甲基正丁基甲酮;甲丁酮 5ml 120元 2011/04/16 H0114 2-己酮 2-Hexanone 25ML 233元
上游原料:氯化钠 --> 乙酰氧基乙酸
TC
可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
Acros Organics:3-己醇 3-Hexanol, 97%(623-37-0)
Alfa Aesar:2-己酮,98% 2-Hexanone, 98%(591-78-6)
外
下游产品:环己酮 --