咖啡酸 基本信息 | |||
---|---|---|---|
CAS号 | 331-39-5 | 分子式 | C9H8O4 |
分子量 | 180.15700 | 精确质量 | 180.04200 |
PSA | 77.76000 | LogP | 1.19560 |
外观与性状:淡黄色至绿色-黄色粉末
密度:1.478 g/cm3
熔点:211-213 °C (dec.)(lit.)
沸点:416.8ºC at 760 mmHg
闪点:220ºC
水溶解性:soluble in hot water
存储条件/存储方法:库房通风低温干燥
稳定性相关:
1. 常温常压下性质稳定。
2. 存在于烟叶、烟气中。
3. 碱溶液由黄色变成橙色。
其它信息:
一、物性数据
1.性状:黄色结晶(水),遇碱液变橙色,有刺激性。
2.密度(g/mL,25/4℃):1.478
3.相对蒸汽密度(g/mL,空气=1):不可用
4.熔点(ºC):194-198
5.沸点(ºC,常压):223~225(dec)
6.沸点(ºC,5.2kPa):不可用
7.折射率:不可用
8.闪点(ºC):220
9.比旋光度(º):不可用
10.自燃点或引燃温度(ºC):不可用
11.蒸气压(kPa,25ºC):不可用
12.饱和蒸气压(kPa,60ºC):不可用
13.燃烧热(KJ/mol):不可用
14.临界温度(ºC):不可用
15.临界压力(KPa):不可用
16.油水(辛醇/水)分配系数的对数值:不可用
17.爆炸上限(%,V/V):不可用
18.爆炸下限(%,V/V):不可用
19.溶解性:可溶于热水、乙醇,微溶于冷水
141-82-2
丙二酸
+
139-85-5
3,4-二羟基苯甲醛
→
~78%
331-39-5
咖啡酸
40918-96-5
Methyl (2E)-3-(1,3-benzodioxol-5-yl)acrylate
→
~38%
331-39-5
咖啡酸
1135-24-6
3-甲氧基-4-羟基肉桂酸
→
~23%
331-39-5
咖啡酸
CHEMICAL IDENTIFICATION
RTECS NUMBER :GD8950000
CHEMICAL NAME :Cinnamic acid, 3,4-dihydroxy-
CAS REGISTRY NUMBER :331-39-5
LAST UPDATED :199510
DATA ITEMS CITED :12
MOLECULAR FORMULA :C9-H8-O4
MOLECULAR WEIGHT :180.17
WISWESSER LINE NOTATION :QV1U1R CQ DQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :Intraperitoneal
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :1500 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 :Intraperitoneal
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :>721 mg/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 :728 gm/kg/2Y-C
TOXIC EFFECTS :Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :1613 gm/kg/96W-C
TOXIC EFFECTS :Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Intraperitoneal
DOSE :480 mg/kg
SEX/DURATION :female 5-12 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
MUTATION DATA
TYPE OF TEST :Cytogenetic analysis
TEST SYSTEM :Rodent - hamster Ovary
DOSE/DURATION :200 mg/L
REFERENCE :CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981 *** REVIEWS *** IARC Cancer Review:Animal Sufficient 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: 56,115,1993 IARC Cancer Review:Human No Available 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: 56,115,1993 IARC Cancer Review:Group 2B 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: 56,115,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7346 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 80 (estimated) No. of Female Employees: 70 (estimated)
毒理学数据:
二、毒理学数据:
急性毒性:
主要的刺激性影响:
在皮肤上面:刺激皮肤和黏膜。
在眼睛上面: 刺激的影响。
致敏作用:没有已知的敏化作用。
生态数据:
三、生态学数据:
1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。
安全信息
海关代码:2942000000
WGK_Germany:3
德国有关水污染物质的分类清单
危险类别码:R36/37/38;R40
安全说明:S26-S36/37/39
RTECS号:GD8950000
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。
危险标志:Xn:Harmful
海关信息
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