17511-60-3

• 常用中文名：丙酸三环癸烯酯
• 常用英文名：florocyclene
• CAS号：17511-60-3
• 分子式：C₁₃H₁₈O₂
• 分子量：206.281
• 相关类别： 香精与香料 合成香料 羧酸及酯类香料 脂肪族羧酸酯
• 发布时间：2018-08-26 21:37:14
• 更新时间：2024-01-05 20:51:39

名称

• 中文名: 丙酸三环癸烯酯
• 英文名: Herbal Propionate
• 中文别名: 3A,4,5,67,7A-六氢-4,7-亚甲基-1H-茚-6-醇丙酸酯
• 英文别名: Tricyclo[5.2.1.0]dec-3-en-8-yl propionate; Cyclaprop; 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate; 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propionate (8CI); florocyclene; Dicyclopentenyl propionate; 3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1H-INDEN-5(6)-YL PROPIONATE

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 276.2±39.0 °C at 760 mmHg
• 分子式: C₁₃H₁₈O₂
• 分子量: 206.281
• 闪点: 112.9±14.6 °C
• 精确质量: 206.130676
• PSA: 26.30000
• LogP: 3.23
• 外观性状: 固体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.531
• 储存条件: 室温，干燥，密封
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.6

  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:15

  8.表面电荷:0

  9.复杂度:308

  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:5

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : PC0470000 CHEMICAL NAME : 4,7-Methanoindene-6-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-, ethyl ester CAS REGISTRY NUMBER : 17511-60-3 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C13-H18-O2 MOLECULAR WEIGHT : 206.31 WISWESSER LINE NOTATION : L C555 A DUTJ IOV2 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: 17,911,1979 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >5 gm/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: 17,911,1979 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 REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,911,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2425 No. of Facilities: 1210 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 10018 (estimated) No. of Female Employees: 4413 (estimated)

安全

• 危害码 (欧洲): Xi
• 海关编码: 2915509000

合成路线

933-60-8 802294-64-0 ~% 17511-60-3 67634-24-6

文献：Russian Journal of Organic Chemistry, , vol. 31, # 4 p. 485 - 488 Zhurnal Organicheskoi Khimii, , vol. 31, # 4 p. 528 - 534

123-62-6 77-73-6 ~% 17511-60-3 67634-24-6

文献：Russian Journal of Organic Chemistry, , vol. 41, # 7 p. 974 - 977

1755-01-7 802294-64-0 ~% 17511-60-3 67634-24-6

文献：Journal fuer Praktische Chemie (Leipzig), , vol. 327, # 5 p. 837 - 846

上下游产品

上游产品  4
933-60-8 123-62-6 77-73-6 1755-01-7
下游产品  0

海关

海关编码	2915509000
中文概述	2915509000 丙酸盐和酯. 增值税率:17.0% 退税率:9.0% 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	2915509000 propionic acid, its salts and esters。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:5.5%。general tariff:30.0%