7-甲氧基-3,7-二甲基辛醛

  • 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

7-甲氧基-3,7-二甲基辛醛 基本信息

中文名称:
7-甲氧基-3,7-二甲基辛醛 
中文别名:
7-甲氧基-3,7-二甲基辛醛;
甲氧基香茅醛;
7-甲氧基-3,7-二甲基-辛醛 
英文名称:
Octanal,7-methoxy-3,7-dimethyl-
英文别名:
7-METHOXY-3,7-DIMETHYLOCTANAL;
3,7-dimethyl-7-methoxy-1-octana;
7-METHOXY-3,7-DIMETH;
3,7-dimethyl-7-methoxy-octan-1-al;
methoxycitronellal;
7-methoxy-3,7-dimethyl-octana;
7-methoxy-3.7-dimethylactanal;
methoxydihydrocitronellal;
7-METHOXY CITRONELLAL;
hydroxycitronellalmethylether;
3,7-dimethyl-7-methoxyoctanal;
7-Methoxy-3,7-dimethyloctanal;
7-methoxy-3,7-dimethyl-octanal 
CAS No.:
3613-30-7
分 子 式:
C11H22O2
分 子 量:
186.29
精确分子量:
186.16200
PSA:
26.30000
MDL:
MFCD00007015
EINECS:
222-784-5
InChI:
InChI=1/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
危险品标志:
Xi
风险术语:
R36/37/38
安全术语:
S24/25
分子结构式:
SDS:
查看

7-甲氧基-3,7-二甲基辛醛 物化性质

密度:
0.869g/cm3
沸点:
239.4ºC at 760mmHg
闪点:
78.4ºC
折射率:
1.4364-1.4384
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,避免与不相容材料接触。

7-甲氧基-3,7-二甲基辛醛 安全信息

海关代码:
2912499000
危险类别码:
R36/37/38
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi: Irritant;

7-甲氧基-3,7-二甲基辛醛 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG7890000
CHEMICAL NAME :
1-Octanal, 3,7-dimethyl-7-methoxy-
CAS REGISTRY NUMBER :
3613-30-7
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H22-O2
MOLECULAR WEIGHT :
186.33
WISWESSER LINE NOTATION :
VH1Y1&3X1&1&O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,807,1976
毒理学数据:

1、皮肤/眼睛刺激性

标准的Draize试验:兔子,皮肤接触:500mg/24H;反应的严重程度:中度。

7-甲氧基-3,7-二甲基辛醛 MSDS

Name: 7-Methoxy-3 7-dimethyloctanal 98% Material Safety Data Sheet
Synonym: 1-Octanal, 3,7-dimethyl-7-methoxy-; 3,7-Dimethyl-7-methoxy-1-octanal; Hydroxycitronellal methyl ether; Methoxycitronellal; Methoxycitronellal methyl ether; Octanal, 7-methoxy-3,7-dimethyl
CAS: 3613-30-7
Section 1 - Chemical Product   MSDS Name:7-Methoxy-3 7-dimethyloctanal 98% Material Safety Data Sheet
Synonym:1-Octanal, 3,7-dimethyl-7-methoxy-; 3,7-Dimethyl-7-methoxy-1-octanal; Hydroxycitronellal methyl ether; Methoxycitronellal; Methoxycitronellal methyl ether; Octanal, 7-methoxy-3,7-dimethyl

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3613-30-7 7-Methoxy-3,7-dimethyloctanal 98 222-784-5
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes moderate skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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:
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:
Treat symptomatically and supportively.

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Water may be ineffective. 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. Cover with sand, dry lime or soda ash and place in a closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 3613-30-7: 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: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 60 deg C @ .45mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 98 deg C ( 208.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: .8770g/cm3
Molecular Formula: C11H22O2
Molecular Weight: 186.29

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, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3613-30-7: RG7890000 LD50/LC50:
CAS# 3613-30-7: Draize test, rabbit, skin: 500 mg/24H Moderate.
Carcinogenicity:
7-Methoxy-3,7-dimethyloctanal - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3613-30-7: No information available.
Canada
CAS# 3613-30-7 is listed on Canada's DSL List.
CAS# 3613-30-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3613-30-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

7-甲氧基-3,7-二甲基辛醛 海关数据

中国海关编码:2912499000

概述:
2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 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, 四聚甲醛报明外观
摘要/Summary:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

7-甲氧基-3,7-二甲基辛醛 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):2.2

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:7

5.互变异构体数量:2

6.拓扑分子极性表面积26.3

7.重原子数量:13

8.表面电荷:0

9.复杂度:141

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:1

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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