三乙二醇二异辛酸酯

三乙二醇二异辛酸酯 基本信息
CAS号 94-28-0 分子式 C22H42O6
分子量 402.56500 精确质量  402.29800
PSA  71.06000 LogP  4.53880

基本信息 展开↓

CAS号:
94-28-0
分子式:
C22H42O6
分子量:
402.56500
中文名称:
三乙二醇二异辛酸酯
英文名称:
2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
中文别名:
三乙二醇二异辛酸酯;
三甘醇二异辛酸酯;
三(乙二醇)双(2-乙基己酸酯);
三甘醇二-2-乙基己酸酯
英文别名:
2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate;
EINECS 202-319-2;
Flexol plasticizer 3GO;
2-ethyl-hexanoic acid;
triethylene glycol di-2-ethylhexanoate;
Flexol 3GO
精确分子量/精确质量:
402.29800
极性分子表面积/PSA:
71.06000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00072285
EINECS:
202-319-2
PubChem:
24874469
InChI:
InChI=1/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3

生产制备方法及用途展开↓

制备方法


产品本品为溶剂型耐寒增塑剂,具有优良的低温性、耐久性、耐油性、耐紫外线照射和抗静电性,且具有粘度低和一定的润滑性。本品是聚乙烯醇缩丁醛(PVB安全玻璃)和合成橡胶的特效增塑剂,能使之产生低温性能和低挥发性。也可用于涤布、粘结剂及密封材料,是PVC、PS、乙基纤维素、硝醛纤维素等的增塑剂。用于含蓖麻油的聚乙烯醇缩丁醛布基涂料时,能改善严寒条件下的柔顺性。也用于丁二烯-丙烯睛类耐油合成橡胶和聚乙烯乳胶漆的配方中,一般用量比苯二甲酸二辛酯或磷酸三甲苯酯都低。可溶于许多有机溶剂,但不溶于矿物油。

用途简介


用途


 本品为溶剂型耐寒增塑剂,具有优良的低温性、耐久性、耐油性、耐紫外线照射和抗静电性,且具有粘度低和一定的润滑性。本品是聚乙烯醇缩丁醛和合成橡胶的特效增塑剂,能使之产生低温性能和低挥发性。也可用于涤布、粘结剂及密封材料,是PVCPS、乙基纤维素、硝醛纤维素等的增塑剂。用于含蓖麻油的聚乙烯醇缩丁醛布基涂料时,能改善严寒条件下的柔顺性。也用于丁二烯-丙烯睛类耐油合成橡胶和聚乙烯乳胶漆的配方中,一般用量比苯二甲酸二辛酯或磷酸三甲苯酯都低。可溶于许多有机溶剂,但不溶于矿物油。

物化性质展开↓

外观与性状:
无色液体
密度:
0.97 g/mL at 25 °C(lit.)
熔点:
−50 °C(lit.)
沸点:
344 °C(lit.)
闪点:
>230 °F
水溶解性:
不溶
折射率:
n20/D 1.445
存储条件/存储方法:

密封贮藏,储存在阴凉、干燥地方。

稳定性相关:

常温常压下稳定,避免与不相容材料接触。

与强氧化剂反应。

其它信息:

1.       性状:淡黄色透明液体

2.       密度(g/mL,25):0.97

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC-50

5.       沸点(ºC,常压):344

6.       沸点(ºC,12mmHg):未确定

7.       折射率(n20/D)1.445lit.

8.       闪点(ºF:>230

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC385

11.    蒸气压(mmHg,40ºC):未确定

12.    饱和蒸气压(kPa,125ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):0.46

19.    溶解性:不溶于水

安全信息展开↓

海关代码:
2918990090
WGK_Germany:
-
德国有关水污染物质的分类清单
危险类别码:
R36/37/38:Irritating to eyes, respiratory system and skin . R22:Harmful if swallowed.
安全说明:
24/25
RTECS号:
MO7725000
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn,Xi

合成路线查看所有的合成路线

  • 149-57-5

    异辛酸

  • +

  • 112-27-6

    二缩三乙二醇

  • 94-28-0

    三乙二醇二异辛酸酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO7725000
CHEMICAL NAME :
Hexanoic acid, 2-ethyl-, diester with triethylene glycol
CAS REGISTRY NUMBER :
94-28-0
BEILSTEIN REFERENCE NO. :
1806809
LAST UPDATED :
199712
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C22-H42-O6
MOLECULAR WEIGHT :
402.64
WISWESSER LINE NOTATION :
4Y2&VO2O2O2OVY4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 7/21/1971 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
31 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - 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: 23,259,1941
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3200 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: OTS0533587
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
14100 uL/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 06817) Volume(issue)/page/year: 7/21/1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
21 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - 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: 23,259,1941
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>20 mL/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: OTS0533587 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1871 No. of Facilities: 18 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 104 (estimated)
毒理学数据:

1、   皮肤/眼睛刺激性

开放的刺激试验:兔子,皮肤接触:500mg,反应的严重程度:轻度。

2、   急性毒性:大鼠经口LD5031mg/kg;小鼠经口LD50>3200mg/kg;兔子经皮肤接触LD5014100μL /kg;豚鼠经口LD5021mg/kg;豚鼠经皮肤接触LD50>20mL/kg

生态数据:

对水是极其危害的,即使是小量,对水体中的鱼和浮游生物是有毒害的。

MSDS 展开↓

Name: Triethylene glycol bis(2-ethylhexanoate) Material Safety Data Sheet
Synonym:
CAS: 94-28-0
Section 1 - Chemical Product MSDS Name: Triethylene glycol bis(2-ethylhexanoate) Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
94-28-0 Triethylene glycol bis(2-ethylhexanoat 100 202-319-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:


SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 94-28-0: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 219 deg C @ 5.00mm Hg
Freezing/Melting Point: -50 deg C
Autoignition Temperature: 725 deg F ( 385.00 deg C)
Flash Point: 390 deg F ( 198.89 deg C)
Explosion Limits, lower: 0.46 volume %
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density: .9670g/cm3
Molecular Formula: C22H42O6
Molecular Weight: 402.57
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Will not occur.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 94-28-0: MO7725000
LD50/LC50:
CAS# 94-28-0: Dermal, guinea pig: LD50 = >20 mL/kg; Oral, mouse: LD50 = >3200 mg/kg; Oral, rat: LD50 = 31 gm/kg; Skin, rabbit: LD50 = 14100 uL/kg.
Carcinogenicity:
Triethylene glycol bis(2-ethylhexanoate) - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
SECTION 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Fathead Minnow: > 100 microliters/l; 96 hr.
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 94-28-0: 1 Canada CAS# 94-28-0 is listed on Canada's DSL List. CAS# 94-28-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 94-28-0 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 6/02/1998 Revision #3 Date: 2/04/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2918990090

概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):5.4

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:21

5.互变异构体数量:无

6.拓扑分子极性表面积71.1

7.重原子数量:28

8.表面电荷:0

9.复杂度:349

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:2

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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    二缩三乙二醇

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