1118-39-4

• 常用中文名：松节油(萜烯、类萜物)月桂烯馏分羟基乙酸酯
• 常用英文名：pseudo linalyl acetate
• CAS号：1118-39-4
• 分子式：C₁₂H₂₀O₂
• 分子量：196.28600
• 发布时间：2019-02-02 14:28:54
• 更新时间：2024-01-05 18:01:11

名称

• 中文名: 松节油(萜烯、类萜物)月桂烯馏分羟基乙酸酯
• 英文名: pseudo linalyl acetate
• 英文别名: 7-OCTEN-2-OL,2-METHYL-6-METHYLENE-, 2-ACETATE; MYRCENYL ACETATE; 7-Acetoxy-7-methyl-3-methylenoct-1-en; EINECS 214-262-0; 7-acetoxy-7-methyl-3-methylene-oct-1-ene; 6-Admpb; PSEUDOLINALYL ACETATE; 7-Acetoxy-7-methyl-3-methylen-1-octen

物化性质

• 密度: 0.891g/cm3
• 沸点: 257.2ºC at 760 mmHg
• 分子式: C₁₂H₂₀O₂
• 分子量: 196.28600
• 闪点: 90.4ºC
• 精确质量: 196.14600
• PSA: 26.30000
• LogP: 3.24060
• 蒸汽压: 0.0147mmHg at 25°C
• 折射率: 1.445
• 储存条件:

  库房通风低温干燥

• 稳定性:

  1.低毒，可燃，加热分解释放刺激烟雾。

• 分子结构:

  1、 摩尔折射率：58.67

  2、 摩尔体积（cm³/mol）：220.1

  3、 等张比容（90.2K）：503.5

  4、 表面张力（dyne/cm）：27.3

  5、 极化率（10-24cm3）：23.26

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.6

  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:7

  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:14

  8.表面电荷:0

  9.复杂度:227

  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

毒性和生态

毒理学数据: 口服-大鼠LD50:6300 毫克/公斤;皮肤-兔子 500毫克/24小时 中度 CHEMICAL IDENTIFICATION RTECS NUMBER : RH3585000 CHEMICAL NAME : 7-Octen-2-ol, 2-methyl-6-methylene-, acetate CAS REGISTRY NUMBER : 1118-39-4 BEILSTEIN REFERENCE NO. : 1768049 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C12-H20-O2 MOLECULAR WEIGHT : 196.32 WISWESSER LINE NOTATION : 1VOX1&1&3YU1&1U1 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: 14,619,1976 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 6300 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: 14,619,1976 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: 14,619,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6934 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

安全

• 海关编码: 2915390090

合成路线

123-35-3 64-19-7 ~% 1118-39-4

文献：Houlihan et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 4692

123-35-3 ~% 1118-39-4

文献：Schulze, Klaus; Haufe, Guenter; Koehler, Guenther Zeitschrift fuer Chemie (Stuttgart, Germany), 1980 , vol. 20, # 8 p. 293 - 294

76280-57-4 ~% 1118-39-4

文献：Schulze, Klaus; Haufe, Guenter; Koehler, Guenther Zeitschrift fuer Chemie (Stuttgart, Germany), 1980 , vol. 20, # 8 p. 293 - 294

123-35-3 75-36-5 ~% 1118-39-4

文献：Ohloff,G. et al. Justus Liebigs Annalen der Chemie, 1964 , vol. 675, p. 83 - 101

上下游产品

上游产品  4
123-35-3 64-19-7 76280-57-4 75-36-5
下游产品  2
1686-30-2 543-39-5

海关

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%