3,7-Dimethyl-1-Octanol 3,7-二甲基-1-辛醇

CAS 106-21-8 MFCD00002936

化学结构图

106-21-8
SMILES: CC(C)CCCC(C)CCO

化学属性

Mol. FormulaC10H22O
Mol. Weight158.29
Refractive index1.4340 to 1.4360
Vapor Density5.4 (vs air)
Boiling Point212.5°C at 760 mmHg
Vapor Pressure<;0.01 mmHg ( 20 °C)
Density0.828
Flash Point95.0°C
Appearance Pa)。溶于乙醇、大多数非挥发性油、矿物油和丙二醇,不溶于甘油和水。 3 无色液体,呈甜的玫瑰香气。沸点213℃或118℃(2.0×10
Melting Point-1.53 °C

别名和识别编码

Chemical Name3,7-Dimethyl-1-Octanol
MDL NumberMFCD00002936
CAS Number106-21-8
Synonym 3,7-Dimethyl-1-octanol {LY} 3,7-Dimethyl-1-octanol {} {LY} 3,7-Dimethyl-1-octanol {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyl-1-octanol {} {} {} {} {} {} {} {} {}
PubChem Substance ID87567943
EC Number203-374-5
Beilstein Registry Number1719638
Reaxys-RN1719638
Chemical Name Translation3,7-二甲基-1-辛醇
Wiswesser Line NotationQ2Y1&3Y1&1
LabNetwork Molecule IDLN00221773
InChIInChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
Canonical SMILESCC(CCCC(C)C)CCO
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • {SNA} A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Kosher Certified Products
  • {SNA} Alcohols, Building Blocks, C9 to C10, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {SA} Alcohols, Building Blocks,

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/8G Title: Densities of Alcohols Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8G Year: 2000 Keyword: organic compounds; density; liquids ISBN: 3-540-66233-2 ISBN: 978-3-540-66233-4 Internet Resource: DOI:10.1007/b75928 RefComment: XI, 413 pages, with CD-ROM, Hardcover
  • Short: EINECS Title: EINEC

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H313 May be harmful in contact with skin 皮肤接触可能有害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRH0900000
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P302+P352+P332+P313+P362+P364
  • 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。
  • P305+P351+P338+P337+P313
Signal word
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
Hazard Codes Xi
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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: 12,535,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2400 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: 12,535,1974

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 方法一:一般由香叶醇或香茅醇氢化而得。
  • TCI Shanghai:3,7-二甲基-1-辛醇 3,7-Dimethyl-1-octanol,>;98.0%(GC)(106-21-8)
  • 用途一:香料。主要用于配制柑橘类香精。在美国主要用于焙烤食品、无醇饮料、胶姆糖、糖果、冷饮、酸渍食品等。
  • 图谱信息:3,7-二甲基-1-辛醇(106-21-8)核磁图( 1 HNMR) 3,7-二甲基-1-辛醇(106-21-8)红外图谱(IR1) 3,7-二甲基-1-辛醇(106-21-8)质谱(MS) 3,7-二甲基-1-辛醇(106-21-8)Raman光谱 3,7-二甲基-1-辛醇(106-21-8)核磁图( 13 CNMR)
  • MOL 文件:106-21-8.mol
  • FEMA:2391
  • 蒸气密度:5.4 (vs air)
  • Sigma Aldrich:106-21-8(sigmaaldrich)
  • 参考质量标准:FCC,1996;FAO/WHO,1998 总醇量(以二甲基辛醇计) ≥90.0% 折射率(n D 20 ) 1.435~1.445 相对密度(d 25 25 ) 0.826~0.842 酸值(OT-4) ≤1.0 醇中溶解度 lml溶于3mL 70%乙醇
  • 毒性:GRAS(FEMA)。 LD 50 2400mg/kg(兔,皮下)。
  • 上游原料:香茅醇 --> 香叶醇
  • 蒸气压:<;0.01 mm Hg ( 20 °C)
  • Acros Organics:3,7-二甲基-1-辛醇 3,7-Dimethyl-1-octanol,95%(106-21-8)
  • 使用限量:FEMA(mg/kg):软饮料4.3;冷饮2.0~4.4;糖果。15;焙烤食品:19。 适度为限(FDA§172.515,2000)。
  • 含量分析:总醇量(以二甲基辛醇计)按总醇量测定法(OT-5)测定。其中皂化时所用的乙酰化油量为l.2 g。计算中的当量因子(e)取79.15。
  • 3,7-二甲基-1-辛醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1442 3,7-二甲基-1-辛醇 3,7-Dimethyl-1-octanol 25ML 156元 2014/06/02 D1442 3,7-二甲基-1-辛醇 3,7-Dimethyl-1-octanol 500ML 746元 2010/06/21 392622500 3,7-二甲基-1-辛醇 3,7-Dimethyl-1-octanol 95% 250 ML 926元

系列性分类


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