CAS 104-76-7 MFCD00004746-2-Ethyl-1-hexanol 异辛醇 TAO{mole}

2-Ethyl-1-hexanol 异辛醇

CAS 104-76-7 MFCD00004746

化学结构图

SMILES: CCCCC(CC)CO

化学属性

Mol. Formula	C8H18O
Mol. Weight	130
Density	0.833
Refractive index	1.4290 to 1.4330
Boiling Point	183-186
Melting Point	-76
Flash Point	78°C(lit.)
TSCA	Yes
Autoignition Point	550 °F
Vapor Density	4.49 (vs air)
Vapor Pressure	0.2 mmHg ( 20 °C)
Solubility	1 G/L (20 ºC)

别名和识别编码

Chemical Name	2-Ethyl-1-hexanol
Synonym	'Isooctano (RS)-2-Ethyl-1-hexanol (±)-2-Ethyl-1-hexanol 1-Hexanol, 2-ethyl- 1-hexanol,2-ethyl- 1-辛醇 2-ETHYL-1-HEXANOL 2-ETHYLHEXANOL 2-ETHYLHEXYL ALCOHOL 2-Ethylhexyl alcohol 2-Ethylhexylalkohol 2-ethyl-1-hexano 2-ethyl-hexan-1-ol 2-ethylhexanol-1 2-Äthylhexanol(1) 2-乙基(-1-)己醇 2-乙基-1-己醇;2-乙基己醇 2-乙基-1-已醇 2-乙基乙醇 2-乙基己醇,2-乙基已醇,2-乙基-1-己醇,辛醇 2-乙基已醇 2EH ETHYL-1-HEXANOL, 2- Ethylhexanol ISOOCTANOL Isooctanol OCTANOL OCTYL ALCOHOL Octanol Octyl alcohol 異辛醇辛醇
CAS Number	104-76-7
EC Number	203-234-3
Beilstein Registry Number	1719280
MDL Number	MFCD00004746
PubChem Substance ID	7720
Reaxys-RN	1719280
Merck Number	3808
Chemical Name Translation	异辛醇
Wiswesser Line Notation	Q1Y4&2
LabNetwork Molecule ID	LN00200234
InChI	InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

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产品应用

染料、树脂和油的溶剂, 有机合成, 增塑剂, 去泡剂, 织物丝光处理。

安全信息

GHS Symbol

WGK Germany2

Hazard Codes Xn Xn,Xi

Hazard statements

H332 Harmful if inhaled 吸入有害
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
H227 Combustible liquid 可燃液体
H318 Causes serious eye damage 严重伤害眼睛
H312 Harmful in contact with skin 皮肤接触有害

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

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
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。
P302+P350
P302+P352+P312+P362+P364
P305+P351+P338
P308+P313
P332+P313
P337+P313
P370+P378
P403+P233
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger Warning

RTECSMP0350000

Risk Statements

R20 Harmful by inhalation 吸入有害
R21 Harmful in contact with skin 与皮肤接触有害
R36 Irritating to eyes 刺激眼睛
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
R52/53

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；
S36/37/39 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；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Storage condition 密封阴凉保存。

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2000 ppm/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete.  (VEB
   Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem.
   Rep.)  V.1-    1955-  Volume(issue)/page/year: 20,575,1974

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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1670 mg/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: 17,775,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 759 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete.  (VEB
   Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem.
   Rep.)  V.1-    1955-  Volume

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 umol/L
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 45,111,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 12 gm/kg
SEX/DURATION            : female 7-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB85-220143

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1628 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 35,41,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 12200 mg/kg
SEX/DURATION            : female 6-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis.  (Alan R. Liss, Inc.,
   41

其他信息

灭火剂:泡沫、二氧化碳、干粉
溶于多数溶剂，能与醇；醚；氯仿混溶，微溶于水（1g溶于约720倍的水），20℃时在水中的溶解度仅0.1%。与水形成的共沸物，水为20%。低毒，半数致死量（大鼠，经口）12.46ml/kg。有刺激性。
刺激数据:皮肤- 兔子 500 毫克/ 24小时中度; 眼- 兔子 20 毫克/ 24小时中度
FEMA:3151
防护措施:毒性不大。大鼠经口LD50为3200～7600mg/kg。要注意
方法二:1.羰基合成法　以丙烯和合成气为原料，经羰基合成反应生成丁醛，两分子丁醛经缩合脱水得2-乙基（-2-）己烯醛，再经加氢得2-乙基（-1-）己醇。2.乙醛缩合法　以乙醛缩合成丁醇醛，脱水得巴豆醛，加氢得正丁醛，然后将两分子正丁醛缩合脱水得2-乙基（-
蒸气密度:4.49 (vs air)
含量分析:按气相色谱法(GT-10)测定。条件为：柱长30m，内径0.32mm。载气氦，压力62.3kPa，流量95ml/min，净化3ml/min。检测器，FID型，温度275℃。试样量1pl。进口温度250℃，柱温80~250℃，IO℃/min。然后按标准化面积的百分率算出含量。或按气相色谱法(GT-10-4)中用非极性柱方法测定。
常规方法:用镀锌铁桶包装，每桶150kg。按易燃品规定，在低温下贮运，防止曝晒。
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
方法一:由乙醛缩合成丁醇醛，脱水得巴豆醛，加氢得正丁醛，经缩合脱水
{Chemi
方法一:由乙醛缩合成丁醇醛，脱水得巴
外观性质:澄清的液体。
Alfa Aesar:2-乙基-1-己醇,99% 2-Ethyl-1-hexanol, 99%(104-76-7)
可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧排放刺激烟雾
用途四:2-乙基已醇在增塑剂邻域习惯称为辛醇，它是重要的化工原料。国外辛醇除用于生产增塑剂外，还生产丙烯酸辛酯或用作表面活性剂等，主要可用来生产：苯二甲酸二辛酯（DOP）、乙二酸二辛酯（DOA）、偏苯三酸三辛酯（TOTM）、其他增塑剂、丙
用途一:用于生产增塑剂、消泡剂、分散剂、选矿剂和石油填加剂，也用于印染、油漆、胶片等方面
毒性分级:中毒
类别:易燃液体
储运特性: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
下游产品:正丁醇 --> 异丁醇 --> 异辛酸 --> 邻苯二甲酸二(2-乙基己)酯 --> 多库脂钠 --> 磺基丁二酸-1,4-二辛酯 --> 二(2-乙基己基)磷酸酯 --> 柴油重油添加剂A型 --> 邻苯二甲酸二正辛酯(DNOP) --> 丙烯酸 2-乙基己酯 --> 马来酸二丁酯 --> 巯基乙酸异辛酯 --> 癸二酸二辛酯 --> 异辛醇聚氧乙烯醚磷酸酯 --> 癸二酸二异辛酯 --> 对苯二甲酸二辛酯 --> 己二酸二辛酯 --> 壬二酸二(2-乙基己基)酯 --> 马来酸二辛酯 --> 磷酸三辛酯 --> 过氧化二碳酸二(2-乙基己基)酯 --> 2-乙基己胺 --> 己二酸二(2-乙基己)酯 --> 癸二酸二异辛酯 --> 三异辛基亚磷酸酯 --> 2-乙基己基二苯基磷酸酯 --> 氯代异辛烷 --> 溴代异辛烷
海关编码:29339990
下游产品:正
防护措施:毒性不大。大鼠经口LD50为3200～7600mg/kg。要注意设备密闭，戴好个人防护用品，保持生产现场通风良好。
蒸气压:0.2 mm Hg ( 20 °C)
Sigma Aldrich:104-76-7(sigmaaldrich)
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