Farnesol (Mixture of Isomers) 金合欢醇

CAS 4602-84-0 MFCD00002918

化学结构图

4602-84-0
SMILES: CC(C)=CCCC(C)=CCCC(C)=CCO

化学属性

Mol. FormulaC15H26O
Mol. Weight222
Density0.887
Boiling Point159-160
Refractive indexn20/D 1.489(lit.)
Flash Point96°C(lit.)
TSCAYes
Appearance 无色至微黄色油状液体。呈淡的白柠檬似香味。沸点263℃。Iml溶于3 mL 70%乙醇,溶于丙二醇和油类,不溶于水。 天然品存在于桂皮、依兰、玫瑰草、麝葵籽等中。 无色油状液体。沸点263℃,相对密度0.887-0.889,折射率1.489-1.491,闪点100℃以上,溶于3体积70%乙醇及许多香料和油类。有蜜甜的玫瑰、铃兰、菩提花及圆叶当归子的气息。
Stability对光敏感

别名和识别编码

Chemical NameFarnesol (Mixture of Isomers)
CAS Number4602-84-0
Synonym ######## (E)-farnesol,(E,E)-3,7,11-trimethyl-2,6-10-dodecatrien-1-ol (E, E)-Farnesol 2,6,10-Dodecatrien-1-ol, 3,7,11-trimet 2,6,10-trimethyl-2,6,10-dodecatrien-12-ol[qr] 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol 3,7,11-Trimethyl-2,6,10-dodecatrienol 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol[qr] 3,7,11-trimethyl-dodeca-2trans,6trans,10-trien-1-ol 3,7,11-trimethyl-dodeca-2t,6t,10-trien-1-ol 3,7,11-三甲基-2 3,7,11-三甲基-2,6,10-十二烷三烯-1-醇 3,7,11-三甲基-2,6,10-十二碳三烯-1-醇 trans,trans-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol Farnesol Inhibitor A2 TRANS,TRANS-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OL all- farnesylalcohol[qr] trans,trans-Farnesol; (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol {} {} {}
Beilstein Registry Number1763926
PubChem Substance ID445070
MDL NumberMFCD00002918
EC Number225-004-1
Merck Number3937
Chemical Name Translation金合欢醇
Reaxys-RN1763926
InChIKeyCRDAMVZIKSXKFV-YFVJMOTDSA-N
Wiswesser Line NotationQ2UY1&3UY1&3UY1&1
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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分类

  • {SNA} Acyclic, Alkenes, Boswellia carterii, Building Blocks, Cancer Metabolism, Chamaemelum nobile (Chamomile tea), Chemical Synthesis, Citrus aurantium (Seville orange), Humulus lupulus (Hops), Key Mevalonate Metabolites Implicated In Cancer, Metabolic Pathways, Mevalonate Pathway in Cancer,

产品应用

  • Farnesol is a natural organic compound which is present in many essential oils.

相关文献及参考

  • A convenient 2-step alternative to the Gabriel or azide displacement methods for the synthesis of allylic amines has been reported using a Mitsunobu reagent (from Diisopropyl­ azodicarboxyl­ate, L10386) in combination with phthalimide, followed by mild deprotection with methylamine. This technique avoids the allylic rearrangements and other side reactions associated with the older routes: Synthesis, 756 (1995):
  • Gaviria, M. et al.: Chem. & Biodiversity 8, 532 (2011)
  • Short: III/35C3
  • Terpene building block.
  • [1]. Cordeiro Rde A, et al. Farnesol inhibits in vitro growth of the Cryptococcus neoformans species complex with no significant changes in virulence-related exoenzymes. Vet Microbiol. 2012 Oct 12;159(3-4):375-80.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves
RTECSJR4979000
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R51/53
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • 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;
Storage condition -20°C Light Sensitive
GHS Symbol
Hazard Codes Xi,N Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Precautionary statements
  • 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。
  • P264+P265
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P302+P350
  • P302+P352
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P317
  • P333+P313
  • P337+P313
  • P337+P317
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7400 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - antipsychotic
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 27,893,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - antipsychotic
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 27,893,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 443 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - antipsychotic
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 27,893,1972

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Insect - not otherwise specified Ovary
DOSE/DURATION           : 100 umol/L
REFERENCE :
   ABCHA6 Agricultural and Biological Chemistry.  (Maruzen Co. Ltd., POB 5050,
   Tokyo International, Tokyo 100-31, Japan)  V.25-    1961-
   Volume(issue)/page/year: 43,1285,1979

其他信息

  • 用途一:GB 2760一96规定为允许使用的食用香料。为配制杏、香蕉、樱桃、黄瓜、桃、草莓等香精的优良组分。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 金合欢醇 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • Sigma Aldrich:106-28-5(sigmaaldrich)
  • Sigma Aldrich:4602-84-0(sigmaaldrich)
  • Alfa Aesar:trans,trans-Farnesol, 97%(106-28-5)
  • Acros Organics:金合欢醇(法尼醇) Farnesol, mixture of isomers, 96%(4602-84-0)
  • F:8
  • 用途一:广泛用于多种香型的香精中。可用于菩提花、紫丁香、铃兰、鸢尾、玫瑰、紫罗兰、刺槐、金合欢、玉兰、兔耳草花及素心兰型、东方香型、膏香型香精,能增强甜花香。也可少量用于食用香精,如杏子、香蕉、浆果、樱桃、桃子、黄瓜、草莓、悬钩子、甜瓜、圆醋栗及柑橘。
  • Alfa Aesar:法呢醇,mixtureofisomers,96% Farnesol, mixture of isomers, 96%(4602-84-0)
  • 里哪醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30089280 法尼醇 10ml 143.9元 2011/04/16 T0608 法呢醇(异构体的混和物) Farnesol (mixture of isomers) 5G 219元 2011/04/16 T0608 法呢醇(异构体的混和物) Farnesol (mixture of isomers) 25G 561元
  • 金合欢醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L14348 trans,trans-Farnesol, 97% 5g 938元 2010/05/25 L14348 trans,trans-Farnesol, 97% 25g 3780元 2010/05/25 L14348 trans,trans-Farnesol, 97% 1g 252元
  • TCI Shanghai:法呢醇(异构体的混合物) Farnesol (mixture of isomers)(4602-84-0)
  • MOL 文件:106-28-5.mol
  • Hazard Note:Irritant
  • MOL 文件:4602-84-0.mol
  • 上游原料:乙酐 --> 橙花叔醇
  • 方法一:用麝葵籽为起始原料加工而成。 由dl-橙花叔醇经无水醋酸处理而得。
  • FEMA:2478

系列性分类


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