| 中文名 |
乙酸苄酯
|
| 英文名 |
benzyl acetate
|
| 中文别名 |
乙酸苯甲酯
醋酸苄酯
乙酸苯基甲基酯
苄基乙酸酯
|
| 英文别名 |
FEMA 2135
Acetic acid benzyl ester
Ethanoic acid phenylmethyl ester
Phenylmethyl ethanoate
Acetic acid phenylmethyl ester
Benzyl ethanoate
Benzyiacetate
Benzylacetat
MFCD00008712
acetoxymethylbenzene
Benzyl alcohol acetate
Acetic acid, phenylmethyl ester
Plastolin I
phenylmethyl acetate
Benzyl acetate
benzyloxyacetoaldehyde
EINECS 205-399-7
Benzenemethanol acetate
Benzenemethanol ethanoate
Benzul acetate
Bentyl acetate
|
| 密度 |
1.1±0.1 g/cm3
|
| 沸点 |
213.5±0.0 °C at 760 mmHg
|
| 熔点 |
−51 °C(lit.)
|
| 分子式 |
C9H10O2
|
| 分子量 |
150.174
|
| 闪点 |
102.2±0.0 °C
|
| 精确质量 |
150.068085
|
| PSA |
26.30000
|
| LogP |
1.93
|
| 外观性状 |
无色液体带有一种梨的气味
|
| 蒸汽压 |
0.2±0.4 mmHg at 25°C
|
| 折射率 |
1.505
|
| 储存条件 |
1.应远离火源和强氧化剂,置阴凉通风处贮存。铁桶包装。
2.生产过程中设备必须密闭,车间内保持良好的通风状态。
|
| 稳定性 |
1.化学性质:乙酸苄酯难溶于水,也不易水解,在丙酮溶液中用碱的醇溶液水解时,生成乙酸和苄醇。水解速度在20℃1小时为10%,3小时35%,5小时46%。用镍为催化剂,180℃进行水合作用得到甲苯和乙酸。在乙醇钠或甲醇钠与氯仿存在下,和苯甲酸甲酯一同加热,生成苯甲酸苄酯(收率30%~50%)。乙酸苄酯在150~170℃进行氯化反应,生成苯甲酰氯与乙酰氯。室温下与溴反应,生成邻或对溴苯甲酰溴。加热至沸点附近还有溴乙烷和苯甲酰溴生成。乙酸苄酯与金属钠一起加热,生成物用稀硫酸分解后,生成氢化肉桂酸苄酯和二苄基醚,其他还有肉桂酸、乙酰乙酸苄酯、苄醇和甲苯等。乙酸苄酯与无水乙醇或与160℃脱水的醋酸钠一同加热,能够定量得到苄醇。
2.本品的毒性较轻微,大鼠经口LD50为2490mg/kg.。有刺激和麻醉作用。小鼠在1.3g/m3浓度下接触7~13小时,即可出现呼吸困难并麻醉致死。由于本品挥发性较低,对人除有局部刺激外,未见其他不良作用。应保持操作场所通风良好。并为操作人员配置防护装具。
3. 存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶、主流烟气中。
|
| 水溶解性 |
<0.1 g/100 mL at 23 ºC
|
| 分子结构 |
1、 摩尔折射率:43.70
2、 摩尔体积(cm3/mol):125.0
3、 等张比容(90.2K):332.0
4、 表面张力(3.0 dyne/cm):49.7
5、 极化率(0.5 10-24cm3):17.32
|
| 计算化学 |
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:2
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26.3
7.重原子数量:11
8.表面电荷:0
9.复杂度:126
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
|
| 更多 |
1. 性状:有馥郁茉莉花香气的无色液体。
2. 密度(g/mL,16/4℃):1.055
3. 相对蒸汽密度(g/mL,空气=1):5.1
4. 熔点(ºC):-51.3
5. 沸点(ºC,常压):213
6. 相对密度(20℃,4℃):1.0550
7. 折射率(20ºC):1.5232
8. 闪点(ºC,闭口): 102
9. 黏度(mPa·s,45ºC):0.001399
10. 燃点(ºC):461
11.相对密度(25℃,4℃):1.04432.5
12. 常温折射率(n25):1.4995
13. 蒸发热(KJ/mol,10~55ºC):60.29
14. 溶度参数(J·cm-3)0.5:19.945
15. van der Waals面积(cm2·mol-1):1.088×1010
16. 比热容(KJ/(kg·K),32.8ºC,定压):1.03
17. van der Waals体积(cm3·mol-1):84.150
18. 爆炸下限(%,V/V):未确定
19.溶解性:在水中溶解0.23%。不溶于甘油,但能与醇、醚、酮及脂肪烃、芳香烃等混溶。
20.液相标准热熔(J·mol-1·K-1):253.3
|
毒理学数据:
其蒸气刺激眼、皮肤和黏膜,口服后可引起呕吐、腹泻,终致消化器官障碍。大鼠经口LD50为2.49~3.69g/kg。小鼠在乙酸苄酯为1.3g/m3的环境中接触7~13小时,呼吸困难、麻醉致死。
CHEMICAL IDENTIFICATION
-
RTECS NUMBER :
-
AF5075000
-
CHEMICAL NAME :
-
Acetic acid, benzyl ester
-
CAS REGISTRY NUMBER :
-
140-11-4
-
LAST UPDATED :
-
199712
-
DATA ITEMS CITED :
-
37
-
MOLECULAR FORMULA :
-
C9-H10-O2
-
MOLECULAR WEIGHT :
-
150.19
-
WISWESSER LINE NOTATION :
-
1VO1R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
-
TYPE OF TEST :
-
Standard Draize test
-
ROUTE OF EXPOSURE :
-
Administration onto the skin
-
SPECIES OBSERVED :
-
Rodent - rabbit
-
TYPE OF TEST :
-
TCLo - Lowest published toxic concentration
-
ROUTE OF EXPOSURE :
-
Inhalation
-
SPECIES OBSERVED :
-
Human
-
DOSE/DURATION :
-
50 ppm
-
TOXIC EFFECTS :
-
Behavioral - antipsychotic Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - other changes
-
TYPE OF TEST :
-
LD50 - Lethal dose, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - rat
-
DOSE/DURATION :
-
2490 mg/kg
-
TOXIC EFFECTS :
-
Behavioral - somnolence (general depressed activity)
-
TYPE OF TEST :
-
LD50 - Lethal dose, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
830 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LCLo - Lowest published lethal concentration
-
ROUTE OF EXPOSURE :
-
Inhalation
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
1300 mg/m3/22H
-
TOXIC EFFECTS :
-
Behavioral - general anesthetic
-
TYPE OF TEST :
-
LC50 - Lethal concentration, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Inhalation
-
SPECIES OBSERVED :
-
Mammal - cat
-
DOSE/DURATION :
-
245 ppm/8H
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Administration onto the skin
-
SPECIES OBSERVED :
-
Mammal - cat
-
DOSE/DURATION :
-
10 gm/kg
-
TOXIC EFFECTS :
-
Behavioral - tremor Behavioral - muscle weakness Gastrointestinal - changes in structure or function of salivary glands
-
TYPE OF TEST :
-
LD50 - Lethal dose, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - rabbit
-
DOSE/DURATION :
-
2200 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LD50 - Lethal dose, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Administration onto the skin
-
SPECIES OBSERVED :
-
Rodent - rabbit
-
DOSE/DURATION :
-
>5 gm/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Subcutaneous
-
SPECIES OBSERVED :
-
Rodent - rabbit
-
DOSE/DURATION :
-
4 gm/kg
-
TOXIC EFFECTS :
-
Behavioral - convulsions or effect on seizure threshold
-
TYPE OF TEST :
-
LD50 - Lethal dose, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - guinea pig
-
DOSE/DURATION :
-
2200 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Subcutaneous
-
SPECIES OBSERVED :
-
Rodent - guinea pig
-
DOSE/DURATION :
-
3 gm/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - rat
-
DOSE/DURATION :
-
355 gm/kg/13W-C
-
TOXIC EFFECTS :
-
Brain and Coverings - other degenerative changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Related to Chronic Data - death
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - rat
-
DOSE/DURATION :
-
65 gm/kg/13W-I
-
TOXIC EFFECTS :
-
Related to Chronic Data - death
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
271 gm/kg/13W-C
-
TOXIC EFFECTS :
-
Behavioral - tremor Nutritional and Gross Metabolic - weight loss or decreased weight gain
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
28 gm/kg/14D-I
-
TOXIC EFFECTS :
-
Gastrointestinal - other changes Related to Chronic Data - death
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Mammal - species unspecified
-
DOSE/DURATION :
-
4200 mg/kg/21D-I
-
TOXIC EFFECTS :
-
Brain and Coverings - recordings from specific areas of CNS Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - rat
-
DOSE/DURATION :
-
258 gm/kg/2Y-I
-
TOXIC EFFECTS :
-
Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
258 gm/kg/2Y-I
-
TOXIC EFFECTS :
-
Tumorigenic - neoplastic by RTECS criteria Liver - tumors
-
TYPE OF TEST :
-
Mutation test systems - not otherwise specified
MUTATION DATA
-
TYPE OF TEST :
-
Cytogenetic analysis
-
TEST SYSTEM :
-
Rodent - hamster Lung
-
DOSE/DURATION :
-
600 mg/L
-
REFERENCE :
-
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 369,243,1996 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen 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 ACGIH TLV-TWA 61 mg/m3 (10 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 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,109,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,109,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 5 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 01600 No. of Facilities: 512 (estimated) No. of Industries: 11 No. of Occupations: 42 No. of Employees: 93580 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 01600 No. of Facilities: 17141 (estimated) No. of Industries: 107 No. of Occupations: 108 No. of Employees: 275806 (estimated) No. of Female Employees: 133629 (estimated)
|
| 危害声明 |
H412
|
| 个人防护装备 |
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
|
| 危害码 (欧洲) |
Xi:Irritant
|
| 风险声明 (欧洲) |
R36/37/38
|
| 安全声明 (欧洲) |
S26-S37/39
|
| 危险品运输编码 |
2810
|
| WGK德国 |
1
|
| RTECS号 |
AF5075000
|
| 海关编码 |
2915390090
|
生产方法一:1.以苄醇与醋酸为原料,在硫酸催化下直接酯化生成乙酸苄酯,再经中和、水洗、分馏得成品。2.以氯苄与醋酸钠为原料,在催化剂吡啶和二甲基苯胺存在下进行反应生成醋酸苄酯。再经水洗、蒸馏得成品。生产方法二:乙酸苄酯天然存在于依兰油、橙花油、风信子油、晚香玉油、栀子油中,工业生产一般采用如下方法制备。在硫酸催化下,苯甲醇与冰醋酸混合加热酯化,反应结束后,先用碱中和,然后用水洗至中性。用无水氯化钙干燥后,减压蒸馏得产品。蒸馏前加入少量的硼酸,使过量苯甲醇与其作用形成高沸点的硼酸苄酯留在蒸馏釜内。CH3COOH+C6H5CH2OH[H2SO4]→CH3CHOOCH2C6H5+H2O由氯苄与乙酸钠反应制得成品,产品中的氯必须除尽。此法产率可达80%。CH3COONa+C6H5CH2ClCH3COOCH2C6H5+NaCl先后将1kg苯甲醇和2kg无水乙酸钠加人1.2kg乙酐中,缓缓加热至l00℃,反应缓和后加入40g无水乙酸钠,再回流反应8h。冷却后用水洗涤,用10%的NaOH溶液中和,再水洗至中性,最后用无水氯化钙干燥后,减压蒸馏得产品。(CH3CO)2+C6H5CH2OH[NaAc]→C3H7COOCH2C6H5+CH3COOH生产方法三:由氯化苄和乙酸钠在吡啶催化下加热酯化而成,然后用蒸馏法提纯。由苄醇与醋酐或醋酸酯化而成,用蒸馏法提纯。
| 海关编码 |
2915390090
|
| 中文概述 |
2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
|
| 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
|
| Summary |
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%
|
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