肉桂酸

肉桂酸 基本信息
CAS号 621-82-9 分子式 C9H8O2
分子量 148.15900 精确质量 　148.05200
PSA 　37.30000 LogP 　1.78440
我要卖该产品 我要采购该产品

等价的CAS号：

140-10-3,621-82-9,102-94-3
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
621-82-9
3D弹球模型：
立即前往扯扯看
分子式：
C9H8O2
分子量：
148.15900
中文名称：
肉桂酸
英文名称：
cinnamic acid
中文别名：
肉桂酸;
3-苯基丙烯酸;
beta-苯基丙烯酸
英文别名：
cinnamic acid;
2-Propenoicacid, 3-phenyl-;
Cinnamic Acid
精确分子量/精确质量：
148.05200
极性分子表面积/PSA：
37.30000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
205-398-1
BRN：
1905952
InChI：
The Key: WBYWAXJHAXSJNI-SREVYHEPSA-N

生产制备方法及用途展开↓

制备方法

由苯甲醛与乙酐缩合而得。将苯甲醛、乙酐、乙酸钠投入干燥的搪玻璃反应锅,搅拌加热,回流7-9h。常压回收乙酸至140℃,减压回收醋酐至物料呈粘稠状。加热水溶解,通蒸汽蒸馏回收未反应的苯甲醛,至无油状物蒸出为止。加水及液碱溶解,加活性炭,在100℃回流15min。趁热过滤。滤液用盐酸中和至pH=1,冷却至10℃,结晶,甩滤,干燥,得肉桂酸。收率58%。

合成制备方法

由苯甲醛与乙酐缩合而得。将苯甲醛、乙酐、乙酸钠投入干燥的搪玻璃反应锅，搅拌加热，回流7-9h。常压回收乙酸至140℃，减压回收醋酐至物料呈粘稠状。加热水溶解，通蒸汽蒸馏回收未反应的苯甲醛，至无油状物蒸出为止。加水及液碱溶解，加活性炭，在100℃回流15min。趁热过滤。滤液用盐酸中和至pH=1，冷却至10℃，结晶，甩滤，干燥，得肉桂酸。收率58%。

用途简介

主要用于食品添加剂中，起到防腐抑菌，增香开胃。同时还可以用在牙膏，口香糖等产品的添加。

用途

香料工业中用于制取肉桂酸甲酯、乙酯、丙酯、丁酯、异丁酯、异戊酯、苄酯、苯酯，用作食品香料、化妆品香料，经加氢可制环己基丙酸，进而可制菠萝香酯用作食用香料。还用于生产感光树脂的主要原料乙烯肉桂酸等。

用于制备酯类、合成药物（如心可定），其酯为配制紫丁香型花香原料，还用于生长促进剂、长效杀菌剂、果蔬保鲜剂的生产中。

物化性质展开↓

外观与性状：
白色结晶粉末
密度：
1.2475
熔点：
133ºC
沸点：
300ºC
闪点：
>230°F
存储条件/存储方法：

存放在密封容器内，并放在阴凉、通风、干燥处，防止日晒。储存的地方必须远离氧化剂。

稳定性相关：

1. 远离氧化物。

2. 存在于烟气中。

其它信息：

1.       性状：白色单斜晶体，微有桂皮气味。

2.       密度（g/mL,25/4℃）：1.248

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：135~135.7

5.       沸点（ºC,常压）：300

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率(n20D)：1.555

8.       闪点（ºC）： ＞100

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：不微溶于水，易溶于酸、苯、丙酮、冰醋酸，溶于乙醇、甲醇和氯仿中。

安全信息展开↓

海关代码：
2916190090
危险类别码：
R36/37/38
安全说明：
26-36
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

合成路线查看所有的合成路线

  • 79-10-7

    丙烯酸

  • +

  • 98-80-6

    苯硼酸

  • →

    ~99%

  • 621-82-9

    肉桂酸

  • 3240-34-4

    碘苯二乙酸

  • +

  • 79-10-7

    丙烯酸

  • →

    ~98%

  • 621-82-9

    肉桂酸

  • 141-82-2

    丙二酸

  • +

  • 100-52-7

    苯甲醛

  • →

    ~98%

  • 621-82-9

    肉桂酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GD7800000
CHEMICAL NAME :
Cinnamic acid
CAS REGISTRY NUMBER :
621-82-9
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C9-H8-O2
MOLECULAR WEIGHT :
148.17
WISWESSER LINE NOTATION :
QV1U1R

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: 16,687,1978 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,687,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 112,53,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(1),94,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,687,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
380 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,617,1969
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82933 No. of Facilities: 87 (estimated) No. of Industries: 2 No. of Occupations: 10 No. of Employees: 22012 (estimated)
毒理学数据：

1、急性毒性：大鼠（口服）LD50： 2,500 mg/kg

             大鼠（腹膜）LD50： 1,600 mg/kg

             小鼠（口服）LD50： 5mg/kg

             小鼠（腹膜）LD50： 160 mg/kg

             小鼠（静脉）LD50： 380 mg/kg

             猪（口服）LDLo：＞5mg/mg

由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Name: Cinnamic Acid Material Safety Data Sheet
Synonym: Phenylacrylic acid; 3-Phenylacrylic acid; 3-Phenyl-2-propenoic acid
CAS: 621-82-9
Section 1 - Chemical Product   MSDS Name:Cinnamic Acid Material Safety Data Sheet
Synonym:Phenylacrylic acid; 3-Phenylacrylic acid; 3-Phenyl-2-propenoic acid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
621-82-9 Cinnamic Acid 100 % 210-708-3
Hazard Symbols: XI
Risk Phrases: 36/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.
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 immediately.
Skin:
Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.
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. Reduce airborne dust and prevent scattering by moistening with water. Clean up spills immediately, observing precautions in the Protective Equipment section.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 621-82-9: 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:
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: Solid
Color: white
Odor: Honey floral odor.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 300 deg C
Freezing/Melting Point: 133 deg C
Autoignition Temperature: Not applicable.
Flash Point: 212 deg F ( 100.00 deg C)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Insoluble in water.
Specific Gravity/Density: Not available.
Molecular Formula: C9H8O2
Molecular Weight: 148.0548
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidants.
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# 621-82-9: GD7800000 LD50/LC50:
CAS# 621-82-9: Draize test, rabbit, skin: 500 mg/24H Mild; Oral, mouse: LD50 = 5 gm/kg; Oral, rat: LD50 = 2500 mg/kg.
Carcinogenicity:
Cinnamic Acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
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 36/38 Irritating to eyes and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28 After contact with skin, wash immediately
with...
WGK (Water Danger/Protection)
CAS# 621-82-9: 1
Canada
CAS# 621-82-9 is listed on Canada's DSL List.
CAS# 621-82-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 621-82-9 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2916190090

概述：
2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。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:6.5%。普通关税:30.0%
申报要素：
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
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：
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。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:6.5%。general tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

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（dyne/cm）：49.7

5、   极化率（10-24cm3）：17.32

计算化学数据

1、   疏水参数计算参考值（XlogP）：2.1

2、   氢键供体数量：1

3、   氢键受体数量：2

4、   可旋转化学键数量：2

5、   拓扑分子极性表面积（TPSA）：37.3

6、   重原子数量：11

7、   表面电荷：0

8、   复杂度：155

9、   同位素原子数量：0

10、   确定原子立构中心数量：0

11、   不确定原子立构中心数量：0

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：1

上下游相关产品

上游产品

更多

  • 104-54-1

    肉桂醇

  • 591-50-4

    碘苯

  • 79-10-7

    丙烯酸

  • 108-86-1

    溴代苯

  • 124-38-9

    二氧化碳

下游产品

更多

  • 105577-05-7

    3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

  • 10500-28-4

    3-phenylprop-2-enoyl bromide

  • 1076199-77-3

    rac 5-Carboxy Tolterodine

  • 109853-54-5

    3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one

  • 606-83-7

    3,3-二苯基丙酸

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP