CAS 101-86-0 MFCD00006989-2-Benzylideneoctanal α-己基肉桂醛 TAO{mole}

2-Benzylideneoctanal α-己基肉桂醛

CAS 101-86-0 MFCD00006989

化学结构图

SMILES: CCCCCC/C(C=O)=C\c1ccccc1

化学属性

Mol. Formula	C15H20O
Mol. Weight	216.32
Refractive index	1.5480 to 1.5510
Boiling Point	308.1°C at 760 mmHg
Density	0.95
Flash Point	113°C
Appearance	淡黄色液体。呈清甜的茉莉似香气，稀释液呈甜的香辛料香味。沸点305℃或174℃(2000Pa)，闪点＞93℃。溶于乙醇(1 m1溶于1 Ml 90%乙醇)、大多数非挥发性油和矿物油，不溶于甘油、丙二醇和水。
Melting Point	N/A

别名和识别编码

Chemical Name	2-Benzylideneoctanal
MDL Number	MFCD00006989
CAS Number	101-86-0
Synonym	α-Hexylcinnamaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID	87571057
EC Number	202-983-3
Chemical Name Translation	α-己基肉桂醛
Reaxys-RN	2502968
Beilstein Registry Number	2502968
Wiswesser Line Notation	VHY6&U1R
InChI	InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
Canonical SMILES	CCCCCC/C(C=O)=C/C1=CC=CC=C1

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分类

{SNA} Aldehydes,
{SNA} 2009/48/EC (Directive on the Safety of Toys), Aldehyde, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chamomile, Chromatography, Cosmetics & Perfumes, European Community: ISO, DIN and DL 152, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Fragrance Allergens in Cosmetic Products, G-L, H, HA -HT, Herbs & Spices, Method and Regulation Specific, Substance Classification
{SNA} A-D, Alphabetical Listings, Flavors and Fragrances, G-H, Kosher Certified Product

安全信息

GHS Symbol

WGK Germany2

Hazard statements

H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H303 May be harmfully swallowed 吞食可能有害

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。
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+P333+P313+P362+P364
P305+P351+P338
P305+P351+P338+P337+P313
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
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。
P332+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
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger Warning

Hazard Codes 8 C C,Xi Xi

Safety Statements

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；
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；
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）；
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；

Risk Statements

R34 Causes burns 会导致灼伤
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
R52/53
R53 May cause long-term adverse effects in the aquatic environment 对水生环境有长期的有害作用

UN Number 3265

Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSGD6560000

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

Packing GroupIII

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3100 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: 12,915,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2300 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 55(6),86,1990

其他信息

用途三:α-己基肉桂醛是我国《食品添加剂使用卫生标准》规定允许使用的食品香料，主要用于配制蜂蜜、水果型食用香精和混合型香料。在糖果中使用量为6.5mg/kg；冷饮中2.6mg/kg；烘烤食品中2.4mg/kg；软饮料中0.8mg/kg；布丁类中0.05mg/kg。
图谱信息:alpha-己基肉桂醛(101-86-0)核磁图( 1 HNMR) alpha-己基肉桂醛(101-86-0)质谱(MS) alpha-己基肉桂醛(101-86-0)红外图谱(IR1) alpha-己基肉桂醛(101-86-0)核磁图( 13 CNMR)
参考质量标准一:QB 1467--1992 96% 94% 含醛量/% ≥96 ≥94 酸值 ≤5 ≤5 相对密度d 25 25 0.917～0.923 0.917～0.923 折射率n D 20 1.447~1.450 1.447～1.450 色状无色黏稠液体无色黏稠液体香气温和新鲜铃兰花香温和铃兰花香
用途六:该品有茉莉香味，经a-戊基肉桂醛和香味更浓、更稳定。用于肥皂、洗涤剂中。
Sigma Aldrich:101-86-0(sigmaaldrich)
方法一:由辛醛与苯甲醛缩合而得。
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） α-己基肉桂醛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
用途四:是配制树兰花油的很好原料。是合成香料中最富有花香的品种之一。又带有愉快的油青气息，与易挥发的花香香料共用，可使之更生动。可用于茉莉
MOL 文件:101-86-0.mol
上游原料:苯甲醛 --> 脱硫 --> 甲位戊基桂醛 --> 正辛醛
参考质量标准二:FAO/WHO，1992 相对密度(d 20 20 )0.665~0.687 折射率(n D 20 ) @1.381～1.384 64～70℃馏出物@≥95(V/V) 蒸发残渣@≤0.0005(W/V) 芳香族碳氢化物@≤0.2(V/V) 硫化物@≤5mg/kg 萃取水@中性铅@≤1mg/kg 紫外吸光度@280~289nm @0.15以下 290~299nm 0.13@以下 300~359nm 0.08@以下 360~400nm@0.02以下
TCI Shanghai:a-己基肉桂醛 alpha-Hexylcinnamaldehyde,>;90.0%(GC)(101-86-0)
方法四:由苯甲醛和正辛醛在碱存在下缩合而得。
使用限量:最高允许残留量(mg/kg)：香辛料油树脂为25，酒花抽提物为2.2。可可脂5(FAO/WHO，1994)。
用途一:日用
方法三:由石油分馏所得汽油经接触改质装置得改质油，经脱硫并分馏除去苯等芳香族碳氢化物后再精制而成。
用途二:萃取溶剂。主要用于大豆、米糠、棉籽等各种食用油脂和香辛料中油树脂等的抽提。 GB 2760-96规定为食品加工助剂。
方法二:在碱存在下由正辛醛与苯甲醛缩合得成品。工艺参见α-戊基肉桂醛(22018)
毒性:ADI，62~82℃者以GMP为限(FAO/WHO，2001)。
所属类别二:食品添加剂: 食品加工助剂: 溶剂和助溶剂
用途五:GB 2760--2001规定为允许使用的食品用香料。主要用以配制蜂蜜和水果型香精及混合香辛料。
alpha-己基肉桂醛价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0685 α-己基肉桂醛 alpha-Hexylcinnamaldehyde 500ML 662元 2014/06/02 H0685 α-己基肉桂醛 alpha-Hexylcinnamaldehyde 25ML 239元
所属类别一:食品添加剂: 食品香料