香芹酚

常用名 香芹酚 英文名 carvacrol
CAS号 499-75-2 分子量 150.218
密度 1.0±0.1 g/cm3 沸点 237.2±9.0 °C at 760 mmHg
分子式 C10H14O 熔点 3-4 °C(lit.)
MSDS香芹酚的MSDS|SDS|pdf下载 中文版 美版 闪点 106.7±0.0 °C
符号 GHS05 GHS07
GHS05, GHS07
信号词 Danger

 香芹酚用途


1.主要用作配制香草香精。具有消毒杀菌作用。近百年来在牙膏、牙粉、口腔用品、爽身粉、香皂等应用门类十分广泛。少量用于食用香精,如辛香肉类、柑橘和凉味香精等。

2.植物源杀菌剂,具有较强的抗菌作用,抗真菌能力尤为突出。是预防和治疗黄瓜灰霉病、水稻稻瘟病的有效药剂。不污染环境,对天敌安全。


 香芹酚物理化学性质

[ 密度 ]: 1.0±0.1 g/cm3
[ 沸点 ]: 237.2±9.0 °C at 760 mmHg
[ 熔点 ]: 3-4 °C(lit.)
[ 分子式 ]: C10H14O
[ 分子量 ]: 150.218
[ 闪点 ]: 106.7±0.0 °C
[ 精确质量 ]: 150.104462
[ PSA ]: 20.23000
[ LogP ]: 3.28
[ 外观性状 ]: 无色或淡黄色液体
[ 蒸汽压 ]: 0.0±0.5 mmHg at 25°C
[ 折射率 ]: 1.523
[ 储存条件 ]:

棕色玻璃瓶密闭包装。贮存于阴凉遮光处。

[ 稳定性 ]:

1.天然品主要存在于牛至油、百里香油、樟脑油、紫苏油等中。

2. 存在于主流烟气中。

3. 发现于牛主属植物、麝香草属植物油中。

[ 水溶解性 ]: Insoluble
[ 分子结构 ]:

1、 摩尔折射率:47.14

2、 摩尔体积(cm3/mol):154.2

3、 等张比容(90.2K):374.9

4、 表面张力(dyne/cm):34.9

5、 极化率(10-24cm3):18.68

[ 计算化学 ]:

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:9

6.拓扑分子极性表面积20.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:120

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:为无色或淡黄色结晶,在空气中放置可被氧化使颜色变深,具有类似苯酚的刺激性气味。 2. 密度(d 18 18) :0.978 3. 相对密度(20℃,4℃):0.9772

4. 熔点(ºC):0~1

5. 沸点(ºC,常压):237.7

6. 常温折射率(n25):1.5202

7. 折射率(n/D20):1.5252

8. 闪点(ºC):106

9. 液相标准燃烧热(焓)(kJ·mol-1):-5648.4

10. 液相标准声称热(焓)( kJ·mol-1):-287.5

11. 气相标准燃烧热(焓)(kJ·mol-1):-5707.4

12. 气相标准声称热(焓)( kJ·mol-1) :-228.5

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:不溶于水,可溶于乙醇、丙酮、乙酸乙酯等有机溶剂。

 香芹酚MSDS

香芹酚 修改号码:5

模块1. 化学品
产品名称: Carvacrol
修改号码: 5

模块2. 危险性概述
GHS分类
 物理性危害未分类
 健康危害
急性毒性(经口) 第4级
皮肤腐蚀/刺激 第2级
严重损伤/刺激眼睛 2A类
 环境危害未分类
GHS标签元素
 图标或危害标志
 信号词警告
 危险描述吞咽有害。
造成皮肤刺激
造成严重眼刺激
 防范说明
[预防]使用本产品时切勿吃东西,喝水或吸烟。
处理后要彻底清洗双手。
穿戴防护手套/护目镜/防护面具。
[急救措施] 食入:若感不适,呼叫解毒中心/医生。漱口。
眼睛接触:用水小心清洗几分钟。如果方便,易操作,摘除隐形眼镜。继续冲洗。
眼睛接触:求医/就诊
皮肤接触:用大量肥皂和水轻轻洗。
若皮肤刺激:求医/就诊。
脱掉被污染的衣物,清洗后方可重新使用。
[废弃处置] 根据当地政府规定把物品/容器交与工业废弃处理机构。
香芹酚 修改号码:5

模块3. 成分/组成信息
单一物质/混和物单一物质
化学名(中文名):香芹酚
百分比: >95.0%(GC)
CAS编码: 499-75-2
俗名: Isothymol , 5-Isopropyl-o-cresol , 5-Isopropyl-2-methylphenol
分子式: C10H14O

模块4. 急救措施
吸入: 将受害者移到新鲜空气处,保持呼吸通畅,休息。若感不适请求医/就诊。
皮肤接触: 立即去除/脱掉所有被污染的衣物。用大量肥皂和水轻轻洗。
若皮肤刺激或发生皮疹:求医/就诊。
眼睛接触:用水小心清洗几分钟。如果方便,易操作,摘除隐形眼镜。继续清洗。
如果眼睛刺激:求医/就诊。
食入: 若感不适,呼叫解毒中心/医生。漱口。
紧急救助者的防护:救援者需要穿戴个人防护用品,比如橡胶手套和气密性护目镜。

模块5. 消防措施
合适的灭火剂:干粉,泡沫,二氧化碳
不适用的灭火剂:水(有可能扩大灾情。)
特定方法:从上风处灭火,根据周围环境选择合适的灭火方法。
非相关人员应该撤离至安全地方。
周围一旦着火:如果安全,移去可移动容器。
消防员的特殊防护用具:灭火时,一定要穿戴个人防护用品。

模块6. 泄漏应急处理
个人防护措施,防护用具, 使用个人防护用品。远离溢出物/泄露处并处在上风处。确保足够通风。
紧急措施:泄露区应该用安全带等圈起来,控制非相关人员进入。
环保措施:防止进入下水道。
控制和清洗的方法和材料:用合适的吸收剂(如:旧布,干砂,土,锯屑)吸收泄漏物。一旦大量泄漏,筑堤控
制。附着物或收集物应该立即根据合适的法律法规废弃处置。

模块7. 操作处置与储存
处理
技术措施:在通风良好处进行处理。穿戴合适的防护用具。防止烟雾产生。处理后彻底清洗双手
和脸。
注意事项:如果蒸气或浮质产生,使用通风、局部排气。
操作处置注意事项:避免接触皮肤、眼睛和衣物。
贮存
储存条件:保持容器密闭。存放于凉爽、阴暗处。
存放于惰性气体环境中。
远离不相容的材料比如氧化剂存放。
气敏
包装材料:依据法律。

模块8. 接触控制和个体防护
工程控制:尽可能安装封闭体系或局部排风系统,操作人员切勿直接接触。同时安装淋浴器和洗
眼器。
个人防护用品
 呼吸系统防护:防毒面具。依据当地和政府法规。
香芹酚 修改号码:5

模块8. 接触控制和个体防护
 手部防护:防护手套。
 眼睛防护:安全防护镜。如果情况需要,佩戴面具。
 皮肤和身体防护:防护服。如果情况需要,穿戴防护靴。

模块9. 理化特性
液体
外形(20°C):
外观:透明
颜色: 无色-黄色
气味:无资料
pH:无数据资料
熔点:无资料
沸点/沸程 238 °C
闪点: 100°C
爆炸特性
 爆炸下限:无资料
 爆炸上限:无资料
密度: 0.98
溶解度:
[水]无资料
[其他溶剂]无资料

模块10. 稳定性和反应性
化学稳定性:一般情况下稳定。
危险反应的可能性:未报道特殊反应性。
须避免接触的物质氧化剂
危险的分解产物: 一氧化碳, 二氧化碳

模块11. 毒理学信息
急性毒性: orl-cat LDLo:100 mg/kg
orl-rat LD50:810 mg/kg
对皮肤腐蚀或刺激:无资料
对眼睛严重损害或刺激:无资料
生殖细胞变异原性:无资料
致癌性:
IARC =无资料
NTP =无资料
生殖毒性:无资料
RTECS 号码: FI1225000

模块12. 生态学信息
生态毒性:
鱼类:无资料
甲壳类:无资料
藻类:无资料
残留性 / 降解性:无资料
潜在生物累积 (BCF):无资料
土壤中移动性
 log水分配系数:无资料
 土壤吸收系数 (Koc):无资料
香芹酚 修改号码:5

模块12. 生态学信息
 亨利定律无资料
constant(PaM3/mol):

模块13. 废弃处置
如果可能,回收处理。请咨询当地管理部门。建议在装有后燃和洗涤装置的化学焚烧炉中焚烧。废弃处置时请遵守
国家、地区和当地的所有法规。

模块14. 运输信息
联合国分类:与联合国分类标准不一致
UN编号:未列明

模块15. 法规信息
《危险化学品安全管理条例》(2002年1月26日国务院发布,2011年2月16日修订): 针对危险化学品的安全使用、
生产、储存、运输、装卸等方面均作了相应的规定。


模块16 - 其他信息
N/A

 香芹酚毒性和生态

香芹酚毒理学数据:

1、皮肤/眼睛刺激数据:标准Draize测试兔子直接接触皮肤:500mg/24HREACTION SEVERITY:严重

2、急性毒性:大鼠经口LD50:810mg/kg,行为-嗜睡(普通抑郁活动)、惊厥或癫痫;小鼠经腹腔LC50:73300ug/kg,行为-嗜睡(普通抑郁活动)、共济失调;小鼠经皮下LD50:680mg/kg,惊厥或癫痫;小鼠经静脉LD50:80mg/kg,影响睡眠;狗经静脉LDLo:310mg/kg,呼吸困难;猫经口LDLo:310mg/kg,除致死剂量外无详细说明;兔子经口LDLo:100mg/kg,除致死剂量外无详细说明;

3、若在封闭条件下,产品抹于兔子皮肤上经1日后产生严重的刺激。用4%浓度的凡士林制剂在人体进行1日封闭性皮肤接触试验未发现有刺激现象。同样剂量在人体进行最高限度试验不产生致敏反应。兔子经皮肤LDLo:2700mg/kg,皮肤及附件-皮炎,其他(后全身暴露);兔子经皮下LDLo:1gm/kg,除致死剂量外无详细说明;青蛙经皮下LDLo:75mg/kg,除致死剂量外无详细说明

香芹酚生态学数据:

该物质对环境可能有危害,对水体应给予特别注意。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FI1225000
CHEMICAL NAME :
Carvacrol
CAS REGISTRY NUMBER :
499-75-2
BEILSTEIN REFERENCE NO. :
1860514
LAST UPDATED :
199701
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C10-H14-O
MOLECULAR WEIGHT :
150.24
WISWESSER LINE NOTATION :
QR B1 EY1&1

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: 17,743,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
810 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
73300 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
QJDRAZ Quarterly Journal of Crude Drug Research. (Lisse, Netherlands) V.1-19, 1961-81. For publisher information, see IJCREE. Volume(issue)/page/year: 19,1,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
680 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
SIZSAR Sapporo Igaku Zasshi. Sapporo Medical Journal. (Sapporo Igaku Daigaku, Nishi-17-chome, Minami-1-jo, Chuo-ku, Sapporo 060, Japan) V.3- 1952- Volume(issue)/page/year: 3,73,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Behavioral - sleep
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
310 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 3,109,1948
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 5,46,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2700 mg/kg
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 5,46,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 5,46,1959 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5071 No. of Facilities: 1235 (estimated) No. of Industries: 6 No. of Occupations: 8 No. of Employees: 7449 (estimated) No. of Female Employees: 979 (estimated)

 香芹酚安全信息

[ 符号 ]: GHS05 GHS07
GHS05, GHS07
[ 信号词 ]: Danger
[ 危害声明 ]: H302-H314
[ 警示性声明 ]: P280-P305 + P351 + P338-P310
[ 个人防护装备 ]: Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ 危害码 (欧洲) ]: C:Corrosive
[ 风险声明 (欧洲) ]: R22;R34
[ 安全声明 (欧洲) ]: S26-S36/37/39-S45
[ 危险品运输编码 ]: UN 3265 8/PG 3
[ WGK德国 ]: 3
[ RTECS号 ]: FI1225000
[ 包装等级 ]: III
[ 危险类别 ]: 8
[ 海关编码 ]: 2907199090

 香芹酚合成线路

~84%

文献:Kalita, Dipok J.; Borah, Ruli; Sarma, Jadab C. Journal of Chemical Research - Part S, 1999 , # 6 p. 404 - 405

~94%

文献:Blay, Gonzalo; Cardona, M. Luz; Garcia, M. Begona; Pedro, Jose R. Synthesis, 1989 , # 6 p. 438 - 439

~67%

文献:Valeev; Bikzhanov; Selezneva; Gimalova; Miftakhov Russian Journal of Organic Chemistry, 2011 , vol. 47, # 9 p. 1287 - 1292

~%

文献:Koval'skaya, S. S.; Kozlov, N. G. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 9.1 p. 1398 - 1407 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 9 p. 1335 - 1343

~28%

文献:Cano, Manuela; Benito, Ana M.; Maser, Wolfgang K.; Urriolabeitia, Esteban P. New Journal of Chemistry, 2013 , vol. 37, # 7 p. 1968 - 1972

~95%

文献:An, Jingyi; Bagnell, Laurence; Cablewski, Teresa; Strauss, Christopher R.; Trainor, Robert W. Journal of Organic Chemistry, 1997 , vol. 62, # 8 p. 2505 - 2511

~0%

文献:Welniak Polish Journal of Chemistry, 2001 , vol. 75, # 1 p. 55 - 62

~%

文献:Djerassi,C. et al. Journal of the American Chemical Society, 1961 , vol. 83, p. 4433 - 4439 Full Text View citing articles Show Details Treibs Chemische Berichte, 1937 , vol. 70, p. 384,387 Full Text Show Details Buechi; Erickson Journal of the American Chemical Society, 1954 , vol. 76, p. 3493

~%

文献:Treibs Chemische Berichte, 1928 , vol. 61, p. 685

~%

文献:Anac, Olcay; Talinli, Naciye Bulletin des Societes Chimiques Belges, 1993 , vol. 102, # 2 p. 79 - 88

~%

文献:Koval'skaya, S. S.; Kozlov, N. G. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 9.1 p. 1398 - 1407 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 9 p. 1335 - 1343

~%

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 香芹酚制备

1.从牛至油、百里香油用碱液制成酚盐将其单离出来。

2.用对伞花烃经磺化成相应的,对伞花烃-2-磺酸,然后经碱熔处理转化为所需的产品。

3.单离法 用酚钠盐从百里香油中单离出百里酚。

4.合成法 以薄荷脑为原料,在铜、镍催化剂存在下脱氢而成。

5.也可从丙烯出发与间甲酚缩合而成。

6.由多种中草药经提取加工而成。

 香芹酚海关

[ 海关编码 ]: 2907199090
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[申报要素 ]: 品名, 成分含量, 用途
[ Summary ]: 2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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