Allyl Hexanoate 己酸烯丙酯

CAS 123-68-2 MFCD00038339

化学结构图

123-68-2
SMILES: C=CCOC(=O)CCCCC

化学属性

Mol. FormulaC9H16O2
Mol. Weight156.23
Refractive index1.4230 to 1.4270
Boiling Point75-76°C at 760 mmHg
Density0.887
Flash Point66°C
Solubility难溶
Melting Point-57.45 °C

别名和识别编码

Chemical NameAllyl Hexanoate
CAS Number123-68-2
MDL NumberMFCD00038339
Synonym Allyl hexanoate {LY} Allyl hexanoate {} {LY} Allyl hexanoate {} {} {LY} Allyl hexanoate {} {} {} {LY} Allyl hexanoate {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl hexa
PubChem Substance ID87561121
EC Number204-642-4
Reaxys-RN1761920
Beilstein Registry Number2(4)924
Chemical Name Translation己酸烯丙酯
Wiswesser Line Notation5VO2U1
LabNetwork Molecule IDLN00235836
InChIInChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
Canonical SMILESCCCCCC(OCC=C)=O
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分类

  • {SNA} A, A-F, AA to AL, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Ester, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Fruits, Mushroom, Pineapple, Potato, Substance Classification, Vegetables
  • {SNA} A,
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Halal Certified Products,

产品应用

  • 广泛用于配制食用香精、香料、烟用香精,配制菠萝及其他水果香精。也是有机合成的中间体。

相关文献及参考

  • Beilstein:2(4)924

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H301+H311
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMO6125000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352+P312+P361+P364
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P370+P378
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard Codes T T,N
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R51/53
UN Number 2810
Packing GroupIII
Hazard Class6.1
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 219 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB234-882

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 280 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - changes in structure or function of salivary glands
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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 218 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
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       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 300 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: 11,489,1973

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 18 ug/disc
REFERENCE :
   OEKSDJ Osaka-furitsu Koshu Eisei Kenkyusho Kenkyu Hokoku, Shokuhin Eisei
   Hen.  Research Reports of the Osaka Prefectural Institute of Public Health,
   Food Sanitation Section.  (Osaka-furitsu Koshu Eisei Kenkyusho, 1-3-69
   Nakamichi, Higashinari-ku, Osaka 537, Japan)  No.1-    1970-
   Volume(issue)/page/year: 9,177,1978

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 易溶于有机溶剂,不溶于水。菠萝香味。

系列性分类


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