CAS 104-50-7 MFCD00005402-Gamma-Octanoic Lactone Gamma-辛内酯 TAO{mole}

Gamma-Octanoic Lactone Gamma-辛内酯

CAS 104-50-7 MFCD00005402

化学结构图

SMILES: CCCCC1CCC(=O)O1

化学属性

Mol. Formula	C8H14O2
Mol. Weight	142.20
Refractive index	1.4430 to 1.4460
Boiling Point	239.124 °C at 760 mmHg
Density	0.981
Flash Point	126°C(lit.)
TSCA	Yes
Appearance	无色至微黄色油状液体。呈桃、椰子似甜果香气和燕麦面包香味。沸点234℃，闪点＞100℃。溶于乙醇和油类，微溶于水，难溶于丙二醇。天然品存在于杏和桃等中。
Melting Point	91 °C

别名和识别编码

Chemical Name	Gamma-Octanoic Lactone
MDL Number	MFCD00005402
CAS Number	104-50-7
Synonym	5-Butyldihydrofuran-2(3H)-one {LY} 5-Butyldihydrofuran-2(3H)-one {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {
PubChem Substance ID	7704
EC Number	203-208-1
Beilstein Registry Number	0111677
Reaxys-RN	111677
Chemical Name Translation	Gamma-辛内酯
Wiswesser Line Notation	T5OVTJ E4
LabNetwork Molecule ID	LN00225597
InChI	InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
Canonical SMILES	O=C1OC(CCCC)CC1

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安全信息

GHS Symbol

WGK Germany1

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H303 May be harmfully swallowed 吞食可能有害

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

RTECSLU3562000

Signal word

Risk Statements

R38 Irritating to skin 刺激皮肤
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

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

Hazard Codes Xi

Precautionary statements

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
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P302+P352+P332+P313+P362+P364
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。
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。
P332+P313
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P302+P350

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4400 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: 14,821,1976

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

MOL 文件:104-50-7.mol
FEMA:2796
用途二:GB 2760一1996规定为允许使用的食用香料。主要用以配制奶油、香荚兰、干酪、焦糖、椰子、桃和杏等型香精。
Alfa Aesar:1,4-辛内酯,98% γ-Octanolactone, 98%(104-50-7)
使用限量:FEMA(mg/kg)：软饮料4.8；冷饮16；糖果16；焙烤食品17；布丁类15；糖浆57。适度为限(FDA§172．515，2000)。
上游原料:丁基环氧乙烷
方法一:由1，2-环氧己烷与钠代丙二酸酯反应后，再皂化、内酯化而成。
含量分析:按GT-10-4中用极性柱进行气相色谱法分析。
用途一:适用于重花香型如栀子、晚香玉、风信子，甚至是百合香型中。亦可用作修饰剂或香豆素代用品，用于香薇、薰衣草及药草香型中。还可用于椰子、坚果、奶油、香荚兰豆、干酪焦糖、朗姆等型的食用香精中。
MSDS 信息:4-n-Butyl-4-hydroxybutyric acid lactone(104-50-7).msds
丙位辛内酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0232 γ-辛内酯 gamma-Octanolactone 25G 604元 2010/06/21 129400250 丙位辛内酯 gamma-Octanoic lactone 98% 25 GR 701元 2010/06/21 129401000 丙位辛内酯 gamma-Octanoic lactone 98% 100 GR 1744元
参考质量标准:FCC，1996 含量 ≥95.0% 折射率(n D 25 ) 1.443～1.447 相对密度(d 25 25 ) 0.970~0.980 醇中溶解度(OT-43) 1ml溶于3mL 50%或2mL60%乙醇酸值(OT-4) ≤8.0
毒性:GRAS(FEMA)。 LD50 4400 mg/kg(大鼠，经口)。
不溶于水，易溶于醇类有机溶剂有浓甜药草、椰子样豆香气。
Sigma Aldrich:104-50-7(sigmaaldrich)
Acros Organics:gamma-辛内酯 gamma-Octanoic lactone, 98%(104-50-7)
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-辛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-辛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
TCI Shanghai:γ-辛内酯 gamma-Octanolactone,>;96.0%(GC)(104-50-7)
图谱信息:丙位辛内酯(104-50-7)红外图谱(IR2) 丙位辛内酯(104-50-7)红外图谱(IR1) 丙位辛内酯(104-50-7)Raman光谱丙位辛内酯(104-50-7)核磁图( 1 HNMR) 丙位辛内酯(104-50-7)质谱(MS) 丙位辛内酯(104-50-7)核磁图( 13 CNMR)