3,5-Heptanediol,(3R,5R)-

物化性质

密度：

0.945±0.06 g/cm3

熔点：

52-53 °C

沸点：

229.9±8.0 °C

闪点：

117.5±7.2 °C

水溶解性：

Soluble (19 g/L)

蒸汽密度：

0.0130 Torr

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1.性状：无可用

2.密度（g/mL,25/4℃）：无可用

3.相对蒸汽密度（g/mL,空气=1）：无可用

4.熔点（ºC）：无可用

5.沸点（ºC,常压）：无可用

6.沸点（ºC,5.2kPa）：无可用

7.折射率：无可用

8.闪点（ºC）：无可用

9.比旋光度（º）：无可用

10.自燃点或引燃温度（ºC）：无可用

11.蒸气压（kPa,25ºC）：无可用

12.饱和蒸气压（kPa,60ºC）：无可用

13.燃烧热（KJ/mol）：无可用

14.临界温度（ºC）：无可用

15.临界压力（KPa）：无可用

16.油水（辛醇/水）分配系数的对数值：无可用

17.爆炸上限（%,V/V）：无可用

18.爆炸下限（%,V/V）：无可用

19.溶解性：无可用

安全信息

密度：

0.945±0.06 g/cm3

熔点：

52-53 °C

沸点：

229.9±8.0 °C

闪点：

117.5±7.2 °C

水溶解性：

Soluble (19 g/L)

蒸汽密度：

0.0130 Torr

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1.性状：无可用

2.密度（g/mL,25/4℃）：无可用

3.相对蒸汽密度（g/mL,空气=1）：无可用

4.熔点（ºC）：无可用

5.沸点（ºC,常压）：无可用

6.沸点（ºC,5.2kPa）：无可用

7.折射率：无可用

8.闪点（ºC）：无可用

9.比旋光度（º）：无可用

10.自燃点或引燃温度（ºC）：无可用

11.蒸气压（kPa,25ºC）：无可用

12.饱和蒸气压（kPa,60ºC）：无可用

13.燃烧热（KJ/mol）：无可用

14.临界温度（ºC）：无可用

15.临界压力（KPa）：无可用

16.油水（辛醇/水）分配系数的对数值：无可用

17.爆炸上限（%,V/V）：无可用

18.爆炸下限（%,V/V）：无可用

19.溶解性：无可用

毒理性

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS

Section 1: Product Identification
Chemical Name:(3R,5R)-(-)-3,5-Heptanediol, 99%
CAS Registry Number:77291-90-8
Formula:C7H16O2
EINECS Number:none
Chemical Family:organic alcohol
Synonym:(3R,5R)-(-)-Heptane-3,5-diol
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound77291-90-8100%no datano data
Section 3: Hazards Identification
Emergency Overview:Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure:Ingestion, inhalation, skin, eyes
Eye Contact:Causes irritation of the eyes.
Skin Contact:Causes irritation of the skin.
Inhalation:Irritating to the nose, mucous membranes and respiratory tract.
Ingestion:No information available on the physiological effects of ingestion.
Acute Health Affects:Irritating to skin, eyes and respiratory tract.
Chronic Health Affects:No information on long-term chronic effects.
NTP:No
IARC:No
OSHA:No
SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.
SECTION 5: Fire Fighting Measures
Flash Point:none
Autoignition Temperature:none
Explosion Limits:none
Extinguishing Medium:carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion andIf involved in a fire, this material may emit toxic and irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.
SECTION 6: Accidental Release Measures
Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up.
SECTION 7: Handling and Storage
Handling and Storage:Store in a tightly sealed container. Keep in a cool, dry, well ventilated place.
SECTION 8: Exposure Controls and Personal Protection
Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection:Wear protective clothing and gloves.
Ventilation:Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation:Handle the material in an efficient fume hood.
Additional Protection:No additional protection required.
SECTION 9: Physical and Chemical Properties
Color and Form:colorless solid
Molecular Weight:132.20
Melting Point:52°
Boiling Point:no data
Vapor Pressure:no data
Specific Gravity:no data
Odor:not determined
Solubility in Water:insoluble
SECTION 10: Stability and Reactivity
Stability:air and moisture stable
Hazardous Polymerization:no hazardous polymerization
Conditions to Avoid:none
Incompatibility:oxidizing agents
Decomposition Products:carbon monoxide, carbon dioxide and organic fumes.
SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files.
Carcinogenic Effects:No data
Mutagenic Effects:No data
Tetratogenic Effects:No data
SECTION 12: Ecological Information
Ecological Information:No information available
SECTION 13: Disposal Considerations
Disposal:Dispose of according to local, state and federal regulations.
SECTION 14: Transportation
Shipping Name (CFR):Non-hazardous
Hazard Class (CFR):NA
Additional Hazard Class (CFR):NA
Packaging Group (CFR):NA
UN ID Number (CFR):NA
Shipping Name (IATA):Non-hazardous
Hazard Class (IATA):NA
Additional Hazard Class (IATA):NA
Packaging Group (IATA):NA
UN ID Number (IATA):NA
SECTION 15: Regulatory Information
TSCA:Not listed in the TSCA inventory
SARA (Title 313):Title compound not listed
Second Ingredient:none
SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2905399090

概述：

2905399090 其他二元醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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, 包装

监管条件：

A.入境货物通关单B.出境货物通关单

检验检疫：

R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验

摘要/Summary：

2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：37.46

2、摩尔体积（m³/mol）：139.8

3、等张比容（90.2K）：338.8

4、表面张力（dyne/cm）：34.4

5、极化率（10^-24cm³）：14.85

计算化学数据

1.疏水参数计算参考值（XlogP）:1.1

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积40.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:55.9

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