27554-26-3 (邻苯二甲酸二异辛酯,Diisooctyl phthalate)

邻苯二甲酸二异辛酯(27554-26-3)名称与标识符

名称

中文别名:
邻苯二甲酸二异辛酯;邻酞酸二异辛酯;苯二甲酸二异辛酯;邻酞酸二(2-乙基己基)酯;(DIOP)邻苯二甲酸二异辛酯;邻苯二甲酸二(2-乙基己基)酯;邻苯二甲酸二异辛;邻苯二甲酸二异辛酯(C8-异构体混合物);邻苯二甲酸二异辛酯(DIOP) 标准品;邻苯二甲酸二异辛酯,CP;邻苯二甲酸二异辛酯,GC;邻苯二甲酸二异辛酯,固定液;乳化剂TX-10;二异辛基 邻苯二甲酸酯;
英文别名:
Bis(6-methylheptyl) phthalate;1,2-Benzenedicarboxylic acid diisooctyl ester;alkylphthalates;Corflex 880;Flexol plasticizer diop;Isooctyl phthalate;Morflex 100;Palatinol D10;Phthalic acid, bis(6-methylheptyl) ester;Phthalic acid, diisooctyl ester;1,2-Benzenedicarboxylic Acid Diisoctyl Ester;diiso-octyl orthophthalate;diisooctyl phthalate, mixed isomers;DIISOOCTYL PHTHALATE, TECH.;phthalic acid, bis-iso-octyl ester;DIISOOCTYLPHTHALATEESTER;Diisooctyl phthalate;Di-isooctyl phthalate (mixture of C8-isomers);Hexaplas M;DIOP;Di-iso-octyl phthalate;Hexaplas M/O;1,2-Benzenedicarboxylic acid, diisooctyl ester;Phthalic acid, bis(6-methylheptyl)ester;Diisooctyl 1,2-benzenedicarboxylate;bis(6-methylheptyl) benzene-1,2-dicarboxylate;IJFPVINAQGWBRJ-UHFFFAOYSA-N;6A121LGB40;AK105955;1,;CHEBI:34710;NSC 6381;QSPL 083;QSPL 045;CBA55426;UNEM 5005;1,2-Benzenedicarboxylic acid,diisooctyl ester;AI3-27697-X (USDA);Phthalic acid, bis-6-methylheptyl ester;UNII-6A121LGB40;FT-0624988;Q2532970;EINECS 248-523-5;Phthalic acid, bis-isooctyl ester (technical);1,2-Benzenedicarboxylic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) 2,2'-diisooctyl ester;DTXSID50873226;1,2-Benzenedicarboxylic acid, 1,2-diisooctyl ester;Hexaplas M/O (Salt/Mix);DSSTox_RID_78618;DSSTox_GSID_27933;DIISOOCTYL PHTHALATE [HSDB];Tox21_200466;NCGC00248637-01;BIDD:ER0438;D70235;1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester;131-20-4;DIISOOCTYL O-PHTHALATE;AS-17769;HSDB 588;1,2-Benzenedicarboxylic Acid, 1,2-bis(6-Methylheptyl) Ester;1,2-Benzenedicarboxylic Acid bis(6-Methylheptyl) Ester;CAS-27554-26-3;JAYFLEX DIOP;SCHEMBL109014;DSSTox_CID_7933;HEXAPLAS DIOP;CS-0154229;NSC-6381;AKOS015916164;NCGC00258020-01;1,2Benzenedicarboxylic acid, diisooctyl ester;CHEMBL3186540;NS00015578;27554-26-3;1,2-BENZENEDICARBOXYLIC ACID, DIISOOTYL ESTER;Bis(6-methylheptyl) Phthalate (>85%);Diisooctyl phthalate Solution in Hexane, 1000mug/mL;1ST1128;1ST1128-1000;FB182610;MSK1128-1000;Diisooctyl phthalate Solution in Hexane, 1000?g/mL;MSK1128;

标识符

MDL:
MFCD00036241
InChIKey:
IJFPVINAQGWBRJ-UHFFFAOYSA-N
Inchi:
1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
SMILES:
O(C(C1C=CC=CC=1C(=O)OCCCCCC(C)C)=O)CCCCCC(C)C

邻苯二甲酸二异辛酯(27554-26-3)物化性质

实验特性

  • LogP : 6.43300
  • PSA : 52.60000
  • 折射率 : 1.486
  • 沸点 : 435.74°C (rough estimate)
  • 熔点 : -4°C
  • 蒸气压 : 1 mm Hg ( 200 °C)
  • 闪点 : >230 °F
  • 溶解度 : DMSO (Sparingly), Methanol (Slightly)
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 0.983

计算特性

  • 精确分子量 : 390.27700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 16
  • 同位素质量 : 390.277
  • 重原子数量 : 28
  • 复杂度 : 390
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 8.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 52.6

邻苯二甲酸二异辛酯(27554-26-3)国际标准相关数据

EINECS:
588

邻苯二甲酸二异辛酯(27554-26-3)生产方法和用途

用途:
用作气相色谱固定液、韧化剂、溶剂及增塑剂。
生产方法:
1.行酯化。酯化是在减压下进行,真空度约需0.09MPa左右。酯化时间约3h。酯化时同时加入总物料量0.1%~0.3%的活性炭。粗酯经过5%左右的纯碱溶液中和,再用80~85℃的热水洗涤。分离水后的粗酯在130~140℃,真空度不低于0.09MPa条件下进行脱醇,直到粗酯闪点达到190℃以上为止。脱醇后的粗酯再以直接蒸汽蒸馏脱除低沸物。必要时可在脱醇时补加一定量的活性炭。粗酯最后经过滤,即得成品。要获得质量更高的产品,可将脱醇后的粗酯进行蒸馏,再经过滤。 2.连续法苯酐与异辛醇以(质量比1∶1.6)的比例投料,在总投料量0.5%的硫酸催化下,先于≤120℃的条件下进行单酯化。单酯液再连续进入酯化塔,在130~150℃、真空度0.09MPa条件下进行连续酯化。粗酯液以1/5体积的50℃热水进行洗涤,再用2%~3%的纯碱于60~70℃条件下连续中和。中和后的粗酯以1∶1体积的70~80℃水洗涤。洗涤后的粗酯中加入0 .%活性炭,在真空度0.97MPa、预热温度150℃条件下连续脱醇。脱醇后的粗酯在100~120℃下压滤,即得成品。 3.间歇法 主要原料配比为苯酐∶异辛醇=1∶2(质量比),硫酸为总物料的0.25%~0.3%,活性炭为总物料的0.1%~0.3%。酯化在减压下进行,真空度约为0.09MPa,于150℃下进行酯化反应约3h。粗酯洗涤的温度为80~85℃;分离水后的粗酯在真空度0.09MPa、温度130~140℃的条件下进行连续脱醇,直到粗酯闪点达到190℃以上为止。脱酯后再进行蒸馏和压滤。 4.固载钛酸四丁酯催化剂酯化合成 固载钛酸四丁酯催化剂的制备 将一定量的活性炭用10%的稀硝酸淋洗,水洗至中性,再用去离子水回流2h,减压过滤,150℃干燥3h后加到含量为3%的钛酸四丁酯的无水乙醇溶液中,回流吸附2h,浸渍吸附24h,然后在烘箱中于80℃下干燥24h,取出放入干燥器中冷却备用。 在装有搅拌器、温度计、分水器和回流冷凝管的四口烧瓶中,按一定比例加入苯酐和2 乙基己醇(醇酐摩尔比为2.8∶1),适量的固载催化剂(催化剂用量以0.5%~0.6%为宜)。开启搅拌,加热升温至210℃回流,反应至分水器内无水珠生成后,再持续反应2.5h。反应结束后,过滤分离出催化剂,在减压下以水蒸气蒸馏带出未反应的2 乙基己醇,然后在减压下蒸干水,即产品DOP。

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邻苯二甲酸二异辛酯(27554-26-3) MSDS

基础信息

Name:Di-iso-octyl phthalate Material Safety Data Sheet
Synonym:1,2-Benzenedicarboxylic acid, diisooctyl ester; phthalic acid, bis(6-methylheptyl)ester
CAS:27554-26-3
Section 1 - Chemical Product ? MSDS Name:Di-iso-octyl phthalate Material Safety Data Sheet
Synonym:1,2-Benzenedicarboxylic acid, diisooctyl ester; phthalic acid, bis(6-methylheptyl)ester

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
27554-26-3Diisooctyl phthalate100 %248-523-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Carcinogen.Possible risks of irreversible effects.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
May cause cancer in humans. May cause reproductive and fetal effects.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
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.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant 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.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 27554-26-3: United Kingdom, WEL - TWA: 5 mg/m3 TWA United Kingdom, WEL - STEL: 15 mg/m3 STEL 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: 1 mm Hg @ 200 C
Viscosity: Not available.
Boiling Point: 399 deg C
Freezing/Melting Point: -50 deg C
Autoignition Temperature: Not applicable.
Flash Point: 227 deg C ( 440.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Insoluble in water.
Specific Gravity/Density: 0.98
Molecular Formula: C24H38O4
Molecular Weight: 390.2636

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidants.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 27554-26-3: TI1300000 LD50/LC50:
CAS# 27554-26-3: Oral, mouse: LD50 = 2769 mg/kg; Oral, rat: LD50 = 22 gm/kg; Skin, rabbit: LD50 = 12600 uL/kg.
Carcinogenicity:
Diisooctyl phthalate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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:
WGK (Water Danger/Protection)
CAS# 27554-26-3: No information available.
Canada
CAS# 27554-26-3 is listed on Canada's DSL List.
CAS# 27554-26-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27554-26-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A