早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 基本信息

中文名称:
早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 
中文别名:
早熟素Ⅱ;
6,7-二甲氧基-2,2-二甲基-3-色烯;
早熟素 II;
6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 
英文名称:
2H-1-Benzopyran,6,7-dimethoxy-2,2-dimethyl-
英文别名:
precocene II;
Precocene 2;
6,7-dimethoxy-2,2-dimethyl-3-chromene;
PRICOCENE II;
precocenes II;
6,7-dimethoxy-2,2-dimethylchrom-3-ene;
6,7-Dimethoxy-2,2-dimethyl2H-1-benzopyran;
6,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran;
6,7-dimethoxy-2,2-dimethylchromene;
2H-1-BENZOPYRAN,6,7-DIMETHOXY-2,2-DIMETHYL;
Ageratochromene;
6,7-Dimethoxy-2,2-dimethyl-2H-benzopyran;
6,7-Dimethoxy-2,2-dimethyl-2H-chromene;
Precocen 2 
CAS No.:
644-06-4
分 子 式:
C13H16O3
分 子 量:
220.26
精确分子量:
220.11000
PSA:
27.69000
EINECS:
211-408-5
InChI:
The Key: PTIDGSWTMLSGAH-UHFFFAOYSA-N
分子结构式:
SDS:
查看

早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 物化性质

密度:
1.063g/cm3
熔点:
47.5ºC
沸点:
300.4ºC at 760 mmHg
闪点:
113ºC
折射率:
1.513
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.      性状:粉末

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):47.5

5.      沸点(ºC,常压):未确定

6.      沸点(ºC2mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):113

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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):未确定

19.   溶解性:未确定

早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 安全信息

海关代码:
2909199090
安全说明:
S24/25

早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2527000
CHEMICAL NAME :
2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-
CAS REGISTRY NUMBER :
644-06-4
BEILSTEIN REFERENCE NO. :
0160683
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C13-H16-O3
MOLECULAR WEIGHT :
220.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg/5D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes primarily in glomeruli Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - hematuria
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
27536 ug/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
Specific locus test

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
1 umol/L
REFERENCE :
CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 26,311,1985
毒理学数据:

1、其他多剂量毒性:大鼠经腹腔TDLo500mg/kg/5D-I

2、慢性毒性/致癌性

小鼠经腹腔TDLo27536μg/kg

3   致突变性

果蝇经口:5mg /L

大鼠肝DNA损害:25μmol /L

大鼠肝DNA合成:1μmol /L

早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 MSDS

Name: Precocene II 99% Material Safety Data Sheet
Synonym: 6,7-Dimethoxy-2,2-Dimethyl-3-Chromene; Ageratochromene
CAS: 644-06-4
Section 1 - Chemical Product   MSDS Name:Precocene II 99% Material Safety Data Sheet
Synonym:6,7-Dimethoxy-2,2-Dimethyl-3-Chromene; Ageratochromene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
644-06-4 Precocene II 99% 211-408-5
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.
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:
Never give anything by mouth to an unconscious person. 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. Runoff from fire control or dilution water may cause pollution.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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# 644-06-4: 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 minimize contact with skin.
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: Crystals
Color: slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 46.00 - 47.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H16O3
Molecular Weight: 220.27

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
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# 644-06-4: DJ2527000 LD50/LC50:
Not available.
Carcinogenicity:
Precocene II - 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.
WGK (Water Danger/Protection)
CAS# 644-06-4: No information available.
Canada
CAS# 644-06-4 is listed on Canada's NDSL List.
CAS# 644-06-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 644-06-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 海关数据

中国海关编码:2909199090

概述:
2909199090. 其他无环醚及其卤化衍生物(包括磺化,硝化或亚硝化衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

早熟素 II; 6,7-二甲氧基-2,2-二甲基-3-色烯; 6,7-二甲氧基-2,2-二甲基-2H-1-苯并吡喃 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积27.7

7.重原子数量:16

8.表面电荷:0

9.复杂度:272

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: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

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