626-38-0

626-38-0结构式
626-38-0结构式
  • 常用中文名:乙酸-2-戊酯
  • 常用英文名:2-pentyl acetate
  • CAS号:626-38-0
  • 分子式:C7H14O2
  • 分子量:130.18500
  • 发布时间:2018-05-18 08:00:00
  • 更新时间:2024-01-01 18:03:02
  • 用作香料和溶剂。


化源商城直购

中文名 1-甲基乙酸丁酯
英文名 Acetic acid-2-pentyl ester
英文别名 1-methylbutyl acetate
EINECS 210-946-8
SECALONIC ACID D FROM PENICILLIUM*OXALICUM
2-butyl acetate
sad
2-Pentyl acetate
ergochrome EE
1-methylbutyl ethanoate
secalonic acid D1
Secalonsaeure D
sec-amyl acetate
沸点 130-131ºC
熔点 -148ºC
分子式 C7H14O2
分子量 130.18500
闪点 33 °C - closed cup(lit.)
精确质量 130.09900
PSA 26.30000
LogP 1.73810
外观性状 无色油状液体
储存条件 库房通风低温干燥,与氧化剂分开存放
分子结构

1、 摩尔折射率:36.21

2、 摩尔体积(cm3/mol):147.9

3、 等张比容(90.2K):332.7

4、 表面张力(dyne/cm):25.5

5、 极化率(10-24cm3):14.35

计算化学

1.疏水参数计算参考值(XlogP):1.8

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:4

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:9

8.表面电荷:0

9.复杂度:88.9

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

更多

1. 性状:有三种光学异构体。

2. 密度(g/mL,25/4℃):0.8803(l体);0.8692(d体);0.8692(dl体)

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):未确定

5. 沸点(ºC,常压):142(l体);130~131(d体);134(dl体)℃

6. 沸点(ºC,5.2kPa):未确定

7. 折射率:1.4012(l体);1.36960(d体);1.3960(dl体)

8. 闪点(ºC):未确定

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(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,60ºC):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:难溶于水和甘油,溶于乙醇和乙醚。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ2100000
CHEMICAL NAME :
Acetic acid, 2-pentyl ester
CAS REGISTRY NUMBER :
626-38-0
BEILSTEIN REFERENCE NO. :
1721249
LAST UPDATED :
199712
DATA ITEMS CITED :
23
MOLECULAR FORMULA :
C7-H14-O2
MOLECULAR WEIGHT :
130.21
WISWESSER LINE NOTATION :
3Y1&OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
200 ppm
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - other changes
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,282,1943
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
10000 ppm/5H
REFERENCE :
PHRPA6 Public Health Reports. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1878- Volume(issue)/page/year: 51,811,1936 *** REVIEWS *** ACGIH TLV-TWA 665 mg/m3 (125 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 125 ppm (650 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,13,1971 OSHA PEL (Gen Indu):8H TWA 125 ppm (650 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 125 ppm (650 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 125 ppm (650 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 125 ppm (650 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 125 ppm (665 mg/m3) JAN 1993 OEL-BELGIUM:TWA 125 ppm (665 mg/m3) JAN 1993 OEL-DENMARK:TWA 100 ppm (525 mg/m3) JAN 1993 OEL-FRANCE:TWA 125 ppm (670 mg/m3) JAN 1993 OEL-GERMANY:TWA 100 ppm (525 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 125 ppm (670 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 125 ppm (650 mg/m3) JAN 1993 OEL-TURKEY:TWA 100 ppm (525 mg/m3) JAN 1993 OEL-UNITED KINGDOM:STEL 150 ppm (800 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 125 ppm (670 mg/m3);STEL 150 ppm JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO sec-AMYL ACETATE-air:10H TWA 125 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

风险声明 (欧洲) 10
安全声明 (欧洲) S16
危险品运输编码 UN 1104 3/PG 3
包装等级 III
危险类别 3.2

由相应的醇和乙酸在硫酸存在下进行酯化制得。