CAS 124-19-6 MFCD00007030-Nonanal 正壬醛 TAO{mole}

Nonanal 正壬醛

CAS 124-19-6 MFCD00007030

化学结构图

SMILES: CCCCCCCCC=O

化学属性

Mol. Formula	C9 H18 O
Mol. Weight	142.24
Boiling Point	192°C(lit.)
Refractive index	1.4190 to 1.4310
Density	0.827 g/mL at 25 °C(lit.)
Flash Point	71°C(lit.)
TSCA	Yes
Vapor Pressure	~0.26 mmHg ( 25 °C)
Solubility	难溶
Appearance	无色油状液体。冷时固化。沸点191-192℃，熔点5-7℃，相对密度 0.820-0.830，折射率1.422-1.429，闪点71℃，溶于3体积70%乙醇与油类。酸值<;10，有青而微甜，尖锐的蜜蜡花香气息，留香力一般，浓度低于 0.0005%时香味新鲜，有柑橘和醋味。
Stability	对空气敏感

别名和识别编码

Chemical Name	Nonanal
CAS Number	124-19-6
Alfabeta Name	NONANAL 1-
MDL Number	MFCD00007030
Synonym	1-NONANAL 1-Nonaldehyde 1-Nonanal 1-Nonyl aldehyde 1-nonylaldehyde 1-octanecarbaldehyde ALDEHYDE C-9 Aldehyd C9 Aldehyde C-9 C-9 Aldehyde C-9 aldehyde FEMA 2782 N-NONYLALDEHYDE NCI-C61018 NONANAL NONANALDEHYDE NONYL ALDEHYDE Nci-c61018 Nonaldehyde Nonanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	87573654
EC Number	204-688-5
Beilstein Registry Number	1,708
Reaxys-RN	1236701
Chemical Name Translation	正壬醛
Wiswesser Line Notation	VH8
LabNetwork Molecule ID	LN00159549
InChI	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
Canonical SMILES	CCCCCCCCC=O

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安全信息

Warnings IRRITANT

GHS Symbol

WGK Germany3

Hazard statements

H227 Combustible liquid 可燃液体
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
H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。

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

Hazard Codes Xi

RTECSRA5700000

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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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+P332+
P302+P352+P332+P313+P362+P364
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
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。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
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
P370+P378
P403+P233
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 {} {} {} {} {} {} {} {} {} {} {} {TCI}

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

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；
S37 Wear suitable gloves 戴适当手套；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；

Packing GroupIII

Hazard Class9

Storage condition +4°C +4℃ 2-8°C 4℃ 储存温度2-8℃ 充氩储存

UN Number 3082

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534476

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >9500 mg/m3/4H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534471

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534468

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 100 nmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 290,183,1993

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 100 umol/L
REFERENCE :
   MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road,
   Eynsham, Oxford OX8 1JJ, UK) V.1- 1986-  Volume(issue)/page/year: 4,277,1989

其他信息

下游产品:壬酸 --> 1-癸醇 --> 2-十一烯醛 --> 反式-2-十一烯-1-醇
蒸气压:~0.26 mm Hg ( 25 °C)
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）壬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
使用限量:FEMA(mg/kg)：软饮料1.3；冷饮1.3；糖果4.1；焙烤食品2.3；布丁类6.0；胶姆糖0.20～38。适度为限(FDA§172．515，2000)。
上游原料:壬酸 --> 1-壬醇 --> 苦橙花油 --> 桂皮油 --> 正壬酸
溶于醇、甘油和矿物油。
壬醛价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 N0296 壬醛 Nonanal 500ML 1930元 2011/04/16 N0296 壬醛 Nonanal 25ML 229元 2010/06/21 357571000 壬醛 Nonyl aldehyde 95% 100 ML 439元
用途二:GB 2760-1996规定为暂时允许使用的食用香料。主要用于配制橙子、柠檬和白柠檬等型香精。用量极微。
FEMA:2782
TCI Shanghai:正壬醛 Nonanal,>;95.0%(GC)(124-19-6)
壬醛价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 N0296 壬醛 Nonanal 500ML 1040元 2014/06/02 N0296 壬醛 Nonanal 25ML 124元 2010/06/21 357571000 壬醛 Nonyl aldehyde 95% 100 ML 439元
用途三:壬醛具有强烈的油脂气味和甜橙气息，其稀乙醇溶液有香草醛和香调，用作食品添加剂，也可用于调制玫瑰、橙花、香紫罗兰、香味等香精。
Sigma Aldrich:124-19-6(sigmaaldrich)
参考质量标准:FCC，1996 含量 ≥92.0% 折射率(n D 20 ) 1.422～1.429 相对密度(d 25 25 ) 0.820~0.830 酸值(OT-4) ≤10.0 醇中溶解度(OT-43) 1份溶于3份70%乙醇
Alfa Aesar:壬醛,97% Nonanal, 97%(124-19-6)
毒性:ADI 0～0.1 mg/kg(FAO/WHO，1994)。
海关编码:29121900
MOL 文件:124-19-6.mol
图谱信息:壬醛(124-19-6)红外图谱(IR1) 壬醛(124-19-6)核磁图( 13 CNMR)
Acros Organics:壬醛/天竺葵醛 Nonyl aldehyde, 95%(124-19-6)
用途一:广泛用于香精配方，用量常应少于0.1%。可用于玫瑰、橙花、铃兰、牡丹、鸢尾、葵花香叶、甜橙、柠檬、茉莉、晚香玉、防风根和许多其他香型。也常作为醛香基的头香。还可极微量用于食用香精中，如柑橘类的配方，特别是柠檬和橘子。
方法一:由正壬酸还原而成。由正壬醇催化氧化而成。
含量分析:按醛测定法(OT-6)测定。所取试样量为1.5 g。计算中的当量因子(e)取71.12。或按气相色谱法(GT-10-4)中非极性柱方法测定。
MSDS 信息:Nonyl aldehyde(124-19-6).msds
方法二:天然存在于德国玫瑰、橙花油、锡兰桂皮油等精油中。工业上由壬醇脱氢来制取。或将壬酸和甲酸的钙盐或钡盐混合，在减压下加热蒸馏而得，也可将甲酸在一氧化锰上由壬酸还原而制得。