CAS 706-14-9 MFCD00005404-gamma-Decanolactone 天然Γ癸内酯 TAO{mole}

gamma-Decanolactone 天然Γ癸内酯

CAS 706-14-9 MFCD00005404

化学结构图

SMILES: CCCCCCC1CCC(=O)O1

化学属性

Mol. Formula	C10H18O2
Mol. Weight	170.25
Density	0.948
Refractive index	1.4470 to 1.4500
Boiling Point	266.685 °C at 760 mmHg
Flash Point	146°C(lit.)
TSCA	Yes
Appearance	天然品存在于桃、杏和草莓等水果中。无色至淡黄色液体，呈椰子和桃子香气。沸点281℃(153℃/2000Pa；或114～116℃/66.7Pa)。微溶于水。

别名和识别编码

Chemical Name	gamma-Decanolactone
CAS Number	706-14-9
EC Number	211-892-8
Beilstein Registry Number	117547
MDL Number	MFCD00005404
Synonym	Gamma-decalactone {LY} Gamma-decalactone decan-4-olide gamma-decalactone gamma-decanolactone gamma-lactone decanoic acid {} {LY} Gamma-decalactone {} {} {LY} Gamma-decalactone {} {} {} {LY} Gamma-decalactone {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
PubChem Substance ID	12813
Reaxys-RN	117547
Chemical Name Translation	天然Γ癸内酯
InChIKey	IFYYFLINQYPWGJ-UHFFFAOYSA-N
Wiswesser Line Notation	T5OVTJ E6
LabNetwork Molecule ID	LN00224581
Canonical SMILES	O=C1OC(CCCCCC)CC1
InChI	InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3

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安全信息

Signal word Warning

GHS Symbol

WGK Germany1

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；
S36/37/39 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；
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；

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

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。
P264+P265
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
P305+P351+P338
P305+P351+P338+P337+P313
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P332+P317
P337+P313
P337+P317
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
P362+P364
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H303 May be harmfully swallowed 吞食可能有害
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

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

RTECSLU4600000

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02795

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

含量分析:按GT-10-4中用极性柱进行气相色谱分析法测定。
FEMA:2360
用途三:配制食品、制皂、日用化妆品用香精，亦可作人造奶油增香剂。
方法二:由辛醛和丙二酸缩合可得α-癸烯酸，α-癸烯酸在冷却下与85%硫酸混合，然后加热到80℃，加水并内酯化，得到γ-癸内酯。工业品含量≥97%。
参考质量标准:FCC，1997 含量 ≥95.0% 酸值(OT-4) ≤1.0 折射率n D 20 1.447～1.451 相对密度d 25 25 0.949～0.954 醇中溶解度 lml溶于lmL 95%乙醇
MOL 文件:706-14-9.mol
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） δ-癸内酯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 γ-癸内酯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
MSDS 信息:5-Hexyldihydro-2(3H)-furanone(706-14-9).msds
Sigma Aldrich:706-14-9(sigmaaldrich)
TCI Shanghai:γ-癸酸内酯 gamma-Decanolactone,>;96.0%(GC)(706-14-9)
Alfa Aesar:γ-十烷酸内酯,98% gamma-Decanolactone, 98%(706-14-9)
方法一:由9-癸烯酸(或ω-十一烯酸)和80%硫酸在90℃下长时间加热环化而成。用Y-1γ-癸内酯酵母(由天津轻工业学院2000年筛选出)在下列营养基中进行发酵法生物制备：蛋白胨3.5g/L；酵母浸汁2.5g／L；KH2PO40.5g/L；Na2HPO4 1.2g/L；MgSO4?7H2O 2.4g/L；蓖麻油4%，消泡剂0.4%，起始Ph 7.0，最后发酵液中的γ-癸内酯可达400mg/L。
用途一:用于配制果香型香精、饲料香味剂等
有愉快的桃子香气。溶于水，易溶于醇类有机溶剂。
图谱信息:丙位癸内酯(706-14-9)核磁图( 13 CNMR) 丙位癸内酯(706-14-9)Raman光谱丙位癸内酯(706-14-9)质谱(MS) 丙位癸内酯(706-14-9)红外图谱(IR1)
丙位癸内酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0233 γ-癸酸内酯 gamma-Decanolactone 25G 500元 2010/05/25 A19732 γ-十烷酸内酯, 98% gamma-Decanolactone, 98% 5g 167元 2010/05/25 A19732 γ-十烷酸内酯, 98% gamma-Decanolactone, 98% 25g 500元
用途二:GB 2760—96规定为允许使用的食用香料。主要用于配制乳品、奶油、桃、柑橘和椰子等型香精。
Hazard Note:Irritant
上游原料:丙二酸 --> 蓖麻油 --> 10-十一烯酸 --> 正辛醛 --> 5-(6)-癸烯酸混合物 --> 9-癸烯酸
使用限量:FEMA(mg/kg)：软饮料2.0；冷饮4.5；糖果5.7；焙烤食品7.1；布丁类0.08～8.0。适度为限(FDA§172．515，2000)。
毒性:GRAS(FEMA)。