Citral, 95%, mixture of cis and trans 柠檬醛,顺反异构混合物

CAS 5392-40-5 MFCD00006997

化学结构图

5392-40-5
SMILES: CC(C)=CCCC(C)=CC=O

化学属性

Mol. FormulaC10H16O
Mol. Weight152.23
Refractive indexn20/D 1.488(lit.)
Boiling Point229°C at 760 mmHg
Density0.888
Vapor Density5 (vs air)
Vapor Pressure0.2 mmHg ( 200 °C)
Flash Point95°C
TSCAYes
Melting Point<-10 °C

别名和识别编码

Chemical NameCitral, 95%, mixture of cis and trans
Synonym Citral {LY} Citral {} {LY} Citral {} {} {LY} Citral {} {} {} {LY} Citral {} {} {} {} {LY} Citral {} {} {} {} {} { {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citral {} {} {} {} {} {} {} {} {} {}
CAS Number5392-40-5
PubChem Substance ID638011
EC Number226-394-6
Beilstein Registry Number1721871
MDL NumberMFCD00006997
Merck Number2322
Chemical Name Translation柠檬醛,顺反异构混合物
Wiswesser Line NotationVH1UY1&3Y1&U1
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
Canonical SMILESC/C(C)=C\CC/C(C)=C/C=O
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分类

  • Aldehydes, Allium sativum (Garlic), Bioactive Small Molecules, Building Blocks, C10-C12, CI-CY, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Citrus aurantium (Seville orange), Humulus lupulus (Hops), Hypericum perforatum (St John&#8242;s wort), Lavandula angustifolia (Lavendar tea), Nutrition Research, Ocimum basilicum (Basil), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Zingiber officinale (Ginger)
  • {SNA} Aldehydes,
  • {SA} A-D, Alphabetical Listings, Bioactive Small Molecules, C-D, CI-CY, Cell Biology,
  • {SNA} A - D,

相关文献及参考

  • Husch, A., et al., Calcium Current Diversity In Physiologically Different Local Interneuron Types Of The Antennal Lobe. J. Neurosci. 29 , 716-26, (2009) 摘要
  • Kuss, P., et al., Mutant Hoxd13 Induces Extra Digits In A Mouse Model Of Synpolydactyly Directly And By Decreasing Retinoic Acid Synthesis. J. Clin. Invest. 119 , 146-56, (2009) 摘要
  • Merck 14 ,2322
  • Beil. 1 ,IV,3569
  • Arctander , 649 / FT-IR 1 (1), 475:D / FT-IR 2 (1), 745:D / FT-NMR 1 (1), 743:A / Fenaroli , 315 / IR-Spectra (3), 280:B / IR-Spectra (2), 251:H / NMR-Reference 2 (1), 364:D / RegBook 1 (1), 519:J / Sax 6 , 1183 / Sigma FT-IR 1 (2), 400:C / Structure Index 1 , 74:B:5 / Vapor Phase 3 , 565:B
  • Catalytic transfer hydrogenation using Ammonium formate, A10699 in combination with palladium on carbon results in regioselective reduction of the ɑß olefinic bond: Tetrahedron Lett., 35, 8649 (1994).

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H303+H313
  • 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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
RTECSRG5075000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • 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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P352
  • P302+P352+P333+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P308+P313
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P333+P313
  • P337+P313
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • 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 Warning
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R38 Irritating to skin 刺激皮肤
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S37 Wear suitable gloves 戴适当手套;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6 gm/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   BIJOAK Biochemical Journal.  (Biochemical Soc. Book Depot, POB 32, Commerce
   Way, Colchester, Essex CO2 8HP, UK)  V.1-    1906- Volume(issue)/page/year:
   34,1196,1940

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4960 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           : 2250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   25,505,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 460 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 55,347,1979

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 2222 ug/disc
REFERENCE :
   OIGZDE Osaka-shi Igakkai Zasshi.  Journal of Osaka City Medical Association.
    (Osaka-shi Igakkai, c/o Osaka-shiritsu Daigaku Igakubu, 1-4-54 Asahi-cho,
   Abeno-ku, Osaka, 545, Japan) V.24-    1975- Volume(issue)/page/year:
   34,267,1985

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1800 mg/kg
SEX/DURATION            : female 6 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Effects on Newborn - live birth index (measured after birth)
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 55,347,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 96,105,1995

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 46 gm/kg
SEX/DURATION            : female 14 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Fertility - other measures of fertility
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
REFERENCE :
   JRPFA4 Journal of Reproduction and

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent -

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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