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6892-68-8

6892-68-8结构式
6892-68-8结构式

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中文名 1,4-二硫代赤藓醇
英文名 dithioerythritol
中文别名 二硫赤藓醇
二硫赤鲜醇
1,4-二硫代赤藻糖醇
克莱兰氏试剂
二硫代赤藓醇(DTE)
赤式1,4-二巯基-2,3-丁二醇
二硫代赤藓醇
1,4-二巯基-2,3-丁二醇
二巯基赤丝草醇
二硫代赤丁四醇
英文别名 DITHIOERYTHRITOL
DL-1,4-Dithiothreitol
DTT
MFCD00063750
1,4-Dithiothreitol
1,4-Bissulfanylbutane-2,3-diol
DL-1,4-Dimercapto-2,3-dihydroxybutane
2,3-Butanediol, 1,4-dimercapto-, (2S,3S)-
THREO-2,3-DIHYDROXY-1,4-DITHIOLBUTANE
Erythritol, 1,4-dithio-
1,4-Disulfanyl-2,3-butanediol
(2R,3S)-1,4-Disulfanylbutane-2,3-diol
Threitol, 1,4-dithio-
(R*,R*)-1,4-DIMERCAPTO-2,3-BUTANEDIOL
2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-
(2S,3S)-1,4-Disulfanyl-2,3-butanediol
Cleland's Reagent
DL-Dithiothreitol
2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-
(2R*,3S*)-1,4-dimercaptobutane-2,3-diol
(2S,3S)-1,4-Disulfanylbutane-2,3-diol
threo-2,3-Dihydroxy-1,4-butanedithiol
dithiothreitol
(2R*,3S*)-1,4-dimercapto-2,3-butanediol
erythro-1,4,-Dimercapto-2,3-butanediol
EINECS 229-998-8
Sputolysin
threo-1,4-Dimercapto-2,3-butanediol
(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
1,4-Disulfanylbutane-2,3-diol
2,3-Butanediol, 1,4-dimercapto-
DTE
(2R,3S)-1,4-Disulfanyl-2,3-butanediol
(±)-1,4-Dimercapto-2,3-butanediol
erythro-1,4-Dimercapto-2,3-butanediol
描述
相关类别
参考文献

[1]. Dithioerythritol, From Wikipedia

密度 1.3±0.1 g/cm3
沸点 364.5±42.0 °C at 760 mmHg
熔点 82-86ºC
分子式 C4H10O2S2
分子量 154.251
闪点 174.2±27.9 °C
精确质量 154.012222
PSA 118.06000
LogP 0.07
外观性状 白色固体
蒸汽压 0.0±1.8 mmHg at 25°C
折射率 1.579
储存条件 2-8°C
稳定性 Stable. Combustible. Incompatible with strong oxidizing agents.
水溶解性 H2O: 10 mg/mL, clear, colorless | Soluble
计算化学

1.疏水参数计算参考值(XlogP):-0.4

2.氢键供体数量:4

3.氢键受体数量:4

4.可旋转化学键数量:3

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:8

8.表面电荷:0

9.复杂度:52

10.同位素原子数量:0

11.确定原子立构中心数量:2

12.不确定原子立构中心数量:0

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

Name: Dithioerythritol 99+% Material Safety Data Sheet
Synonym: DTE; Dimercapto-2,3-Butanedio
CAS: 6892-68-8
Section 1 - Chemical Product MSDS Name:Dithioerythritol 99+% Material Safety Data Sheet
Synonym:DTE; Dimercapto-2,3-Butanedio

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6892-68-8 Dithioerythritol +99 229-998-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.Stench.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. No information regarding skin irritation and other potential effects was found. The toxicological properties of this material have not been fully investigated.
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. Causes irritation of mucous membrane.
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 immediately.
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. 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:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. 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. Minimize dust generation and accumulation. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6892-68-8: 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: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Negligible.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 82.00 - 84.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H10O2S2
Molecular Weight: 154.24

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. May decompose on exposure to moist air or water.
Conditions to Avoid:
Incompatible materials, moisture.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, alkali metals.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6892-68-8: KF2410000 LD50/LC50:
Not available.
Carcinogenicity:
Dithioerythritol - 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
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.
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# 6892-68-8: No information available.
Canada
CAS# 6892-68-8 is listed on Canada's DSL List.
CAS# 6892-68-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6892-68-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KF2410000
CHEMICAL NAME :
Erythritol, 1,4-dithio-
CAS REGISTRY NUMBER :
6892-68-8
BEILSTEIN REFERENCE NO. :
1719756
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C4-H10-O2-S2
MOLECULAR WEIGHT :
154.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
309 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
100 umol/L
REFERENCE :
HEREAY Hereditas (Lund, Sweden). (Gjoerloffsgatan 121, S-261 34 Landskrona, Sweden) V.1- 1947- Volume(issue)/page/year: 91,105,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4164 No. of Facilities: 315 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 8177 (estimated) No. of Female Employees: 5997 (estimated)

个人防护装备 dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲) Xn:Harmful;
风险声明 (欧洲) R22;R36/37/38
安全声明 (欧洲) S26-S37/39
危险品运输编码 UN 3335
WGK德国 3
RTECS号 KF2410000
海关编码 29309070

~71%

6892-68-8结构式

6892-68-8

文献:Lee, Sang Hyup; Kohn, Harold Heterocycles, 2003 , vol. 60, # 1 p. 47 - 56

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6892-68-8结构式

6892-68-8

文献:WO2005/33070 A2, ; Page/Page column 17; 18 ;
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海关编码 2930909090
中文概述 2930909090. 其他有机硫化合物. 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:30.0%
申报要素 品名, 成分含量, 用途
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%