1003-78-7

1003-78-7结构式

常用中文名：2,4-二甲基环丁砜
常用英文名：2,4-dimethylsulfolane
CAS号：1003-78-7
分子式：C₆H₁₂O₂S
分子量：148.22300
相关类别：化学试剂有机试剂砜、亚砜类化合物
发布时间：2018-09-02 22:37:25
更新时间：2024-01-06 11:55:05
作液-液及气-液萃取过程中的溶剂。

中文名	2,4-二甲基环丁砜
英文名	2,4-dimethylthiolane 1,1-dioxide
中文别名	2,4-二甲基四亚甲基砜二甲基砜茂烷 2,4-二甲基四氢噻吩-1,1-二氧化物 1,1-二氧化-2,4-二甲基四氢噻吩
英文别名	2,4-Dimethyltetrahydrothiophene-1,1-dioxide MFCD00005485 2.4-Dimethyl-tetrahydrothiophen-1.1-dioxyd 2,4-Dimethyl sulfolane EINECS 213-716-5 2,4-Dimethyl-sulfolan 2,4-DIAMINOPYRIMIDINE-5-CARBOXALDEHYDE 2,4-Dimethyl-tetrahydro-thiophen-1,1-dioxid 2,4-Dimethyltetrahydrothiophene dioxide 2,4-Dimethyltetramethylene sulfone 2,4-dimethyl sulfonate

密度	1.136 g/mL at 25 °C(lit.)
沸点	281 °C(lit.)
熔点	−3 °C(lit.)
分子式	C₆H₁₂O₂S
分子量	148.22300
闪点	294 °F
精确质量	148.05600
PSA	42.52000
LogP	1.91030
外观性状	透明淡棕色液体
蒸汽压	0.00688mmHg at 25°C
折射率	n20/D 1.473(lit.)
储存条件	保持容器密封，储存在阴凉，干燥的地方
稳定性	常温常压下稳定，避免强氧化剂接触。
分子结构	1、摩尔折射率：36.55 2、摩尔体积（cm³/mol）：135.2 3、等张比容（90.2K）：311.4 4、表面张力（dyne/cm）：28.0 5、介电常数：不可用 6、偶极距（10^-24cm³）：不可用 7、极化率：14.48
计算化学	1.疏水参数计算参考值（XlogP）:1 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积42.5 7.重原子数量:9 8.表面电荷:0 9.复杂度:188 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
更多	1. 性状：无色至黄色液体。 2. 密度（g/mL,20/4℃）：1.1362 3. 熔点（ºC）：-3 4. 沸点（ºC,常压）：281（部分分解） 5. 折射率（20ºC）：1.4733 6. 闪点（ºC）：143 7. 溶解性：微溶于水，与低级芳烃混溶。溶于乙醚、丙酮、甲醇。能与环烷、烯烃和石蜡部分混溶。

Name:	2 4-Dimethylsulfolane 95% Material Safety Data Sheet
Synonym:	2,4-Dimethyltetrahydrothiophene Dioxide; Thiophene, Tetrahydro-2,4-Dimethyl-, 1,1-Dioxide
CAS:	1003-78-7

Section 1 - Chemical Product MSDS Name:2 4-Dimethylsulfolane 95% Material Safety Data Sheet
Synonym:2,4-Dimethyltetrahydrothiophene Dioxide; Thiophene, Tetrahydro-2,4-Dimethyl-, 1,1-Dioxide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1003-78-7	Dimethyl Sulfolane	95	213-716-5

Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.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 irritation of the digestive tract. 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:
No information found.

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.
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:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1003-78-7: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 281 - 281 deg C @ 760.00mmHg
Freezing/Melting Point: -3 deg C
Autoignition Temperature: Not available.
Flash Point: 138-145C
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1360g/cm3
Molecular Formula: C6H12O2S
Molecular Weight: 148.22

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1003-78-7: XN0525000 LD50/LC50:
CAS# 1003-78-7: Oral, mouse: LD50 = 140 mg/kg; Oral, rabbit: LD50 = 115 mg/kg.
Carcinogenicity:
Dimethyl Sulfolane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 23 Do not inhale gas/fumes/vapour/spray.
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1003-78-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1003-78-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1003-78-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、急性毒性：大鼠口经LD50：100mg/kg；小鼠口经LD50：140mg/kg

2、口服有毒。对眼睛、呼吸系统及皮肤有刺激性。

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XN0525000

CHEMICAL NAME :: Thiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide

CAS REGISTRY NUMBER :: 1003-78-7

BEILSTEIN REFERENCE NO. :: 0111239

LAST UPDATED :: 199707

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H12-O2-S

MOLECULAR WEIGHT :: 148.24

WISWESSER LINE NOTATION :: T5SWTJ B1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 140 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 72 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 32,539,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 61 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 32,539,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 115 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 32,539,1971

危害码 (欧洲)	T: Toxic;
风险声明 (欧洲)	R25
安全声明 (欧洲)	S26-S36/37/39-S45
危险品运输编码	UN 2810 6.1/PG 3
WGK德国	3
RTECS号	XN0525000
海关编码	2934999090

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4740-02-7

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1003-78-7	14988-66-0
470666-34-3	68480-15-9
67634-22-4	29424-94-0
470666-35-4	1803562-44-8
67634-16-6	151464-91-4