CAS 7212-44-4 MFCD00008911-Nerolidol 橙花叔醇 TAO{mole}

Nerolidol 橙花叔醇

CAS 7212-44-4 MFCD00008911

化学结构图

SMILES: C=CC(C)(O)CCC=C(C)CCC=C(C)C

化学属性

Mol. Formula	C15H26O
Mol. Weight	222.37
Refractive index	n20/D 1.479(lit.)
Boiling Point	275.999 °C at 760 mmHg
Density	0.875
Flash Point	135°C(lit.)
TSCA	Yes
Melting Point	-75 °C
Solubility	不溶
Appearance	无色至草黄色糖浆状油性液体。呈玫瑰及苹果香气。有小和dl-两种旋光体。D-橙花叔醇的沸点276℃，相对密度(d D )1.4795。Dl-橙花叔醇的沸点98～100℃(40 Pa)，相对密度(d 20 18 )1.480l。溶于乙醇、丙二醇、大多数非挥发性油和矿物油，不溶于甘油。 25 天然品存在于苦橙花油、秘鲁香脂油等精油中。 )0.8816，旋光度[α]+15°~30°，折射率(n )0.8788，折射率(n

别名和识别编码

Chemical Name	Nerolidol
MDL Number	MFCD00008911
CAS Number	7212-44-4
Synonym	Nerolidol {LY} Nerolidol {} {LY} Nerolidol {} {} {LY} Nerolidol {} {} {} {LY} Nerolidol {} {} {} {} {LY} Nerolidol {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nerolidol {} {} {} {} {} {}
PubChem Substance ID	5284507
EC Number	230-597-5
Beilstein Registry Number	1724135
Merck Number	6476
Chemical Name Translation	橙花叔醇
Reaxys-RN	1724135
Canonical SMILES	C=CC(O)(C)CC/C=C(C)/CC/C=C(C)/C
InChI	InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+

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分类

{SNA} Alcohols, Aliphatic, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Cell Biology, Chamaemelum nobile (Chamomile tea), Chemical Class, Chromatography, Citrus, Citrus aurantium (Seville orange), Elettaria Cardamomum (Cardamom), Humulus lupulus (Hops), Hypericum perforatum (St John's wort), Life Sciences Standards, N, NA - NI, Natural Compounds, Natural Terpene Standards, Nutrition Research, Ocimum basilicum (Basil), Panax ginseng,
{SNA} Alphabetical Listings,
{SNA} Acyclic, Alkenes, Building Blocks,
{SNA} Acyclic,

安全信息

GHS Symbol

WGK Germany2

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
H335 May cause respiratory irritation 可能导致呼吸道刺激
H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。

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

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。
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。
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+P352
P304+P340
P305+P351+P338
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
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。
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word

RTECSJR4977000

Hazard Codes N Xi

Safety Statements

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；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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；

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
R50/53

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 :
   USXXAM United States Patent Document.  (U.S. Patent Office, Box 9,
   Washington, DC 20231)  Volume(issue)/page/year: #5116602

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (3),31,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,887,1975

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

其他信息

橙花叔醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 N0454 橙花叔醇(顺反异构体混和物) Nerolidol (cis- and trans- mixture) 25ML 306元 2010/06/21 121970250 橙花叔醇 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene , 97+% (total alcohols) 25 GR 412元 2010/06/21 121971000 橙花叔醇 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene , 97+% (total alcohols) 100 GR 1072元
海关编码:29052290
MSDS 信息:Nerolidol(7212-44-4).msds
FEMA:2772
Acros Organics:橙花叔醇 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodec
上游原料:苦橙花油 --> 秘鲁香膏 --> 甜橙油
TCI Shanghai:橙花叔醇(顺反异构体混合物) Nerolidol (cis- and trans- mixture),>;97.0%(GC)(7212-44-4)
在室温下散发出玫瑰花香，溶于一切常规有机溶剂,不溶于水. 溶于无水乙醇，不溶于甘油。
MOL 文件:7212-44-4.mol
参考质量标准:FCC，1996 总醇(以橙花叔醇计)量 ≥90.0% 折射率(n D 20 ) 1.478～1.483 相对密度(d 25 25 ) 0.870～0.880 旋光度([α]D) +11°～+14°(天然品)±0°(合成品) 含酯量(以乙酸橙花叔酯≤0.5%C1 7 HgO2计) 醇中溶解度 1ml溶于4ml，70%乙醇
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）橙花叔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
方法一:将秘鲁香脂油或橙花油、甜橙油用真空分馏法，取98～102℃[53Pa
毒性:GRAS(FEMA)。
Sigma Aldrich:7212-44-4(sigmaaldrich)
{Chemicalbook
用途二:它淡时发香，有不寻常的鲜苹果香，可赋有趣的花香，持久性极好，有一定的协调性能和定香作用。适用于橙花、茉莉、水仙等香型。也可与檀香油、依兰油、香兰素共用。微量用于食用蜜香、苹果、玫瑰和柑橘香精配方，在果香和浆果香中能起到协调作用。
用途四:该品呈玫瑰及苹果香气。GB2760-88规定为允许使用的食用香料。主要用来配制苹果、杂锦水果和柑桔类等香精。
用途三:GB 2760—1996规定为允许的香料。主要用以配制苹果、什锦水果和柑橘类等香精。
下游产品:里哪醇
使用限量:FEMA(mg/kg)：软饮料0.91；冷饮0.92；糖果3.5；焙烤食品2.0～8.0。适度为限(FDA§172．515，2000)。
图谱信息:橙花叔醇(7212-44-4)红外图谱(IR1) 橙花叔醇(7212-44-4)质谱(MS)
含量分析:方法一总醇量按“芳樟醇(03638)”中芳樟醇含量分析法测定。其中所取干燥乙酰化油量改为1.5 g，并与0.5 mol/L氢氧化钾乙醇液回流6 h。总醇量X按下式计算：X=100(b-s)×111.19/W-0.042(b-s)式中b——空白试验中所耗用的0.5 mol/L盐酸体积，ml； s——滴定试样时所耗用的0.5 mol/L盐酸的体积，ml； W——乙酰化油试样量，mg。方法二按气相色谱法(GT-10-4)中用非极性柱方法测定。
方法一:将秘鲁香脂油或橙花油、甜橙油用真空分馏法，取