CAS 928-96-1 MFCD00063217-cis-3-Hexen-1-ol, 99%, reference material 顺-3-己烯醇 TAO{mole}

cis-3-Hexen-1-ol, 99%, reference material 顺-3-己烯醇

CAS 928-96-1 MFCD00063217

化学结构图

SMILES: CC/C=C\CCO

化学属性

Mol. Formula	C6H12O
Mol. Weight	100.16
Density	0.848
Refractive index	1.4390 to 1.4430
Vapor Density	3.45 (vs air)
Boiling Point	156.5°C at 760 mmHg
Flash Point	44.44°C
TSCA	Yes
Solubility	不溶
Stability	对光敏感
Appearance	无色油状液体。具有强烈的青草香气和新茶叶气息。沸点156℃，闪点44℃。溶于乙醇、丙二醇和大多数非挥发性油，极微溶于水。天然品存在于茶叶：薄荷、大茉莉花、葡萄、树莓、柚子等中。
Melting Point	22.55 °C

别名和识别编码

Chemical Name	cis-3-Hexen-1-ol, 99%, reference material
Synonym	cis-3-Hexen-1-ol {LY} cis-3-Hexen-1-ol cis-3-hexen-1-ol cis-3-hexenol {} {LY} cis-3-Hexen-1-ol {} {} {LY} cis-3-Hexen-1-ol {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY
CAS Number	928-96-1
EC Number	213-192-8
Beilstein Registry Number	1719712
MDL Number	MFCD00063217
PubChem Substance ID	5281167
Merck Number	14,4700
Reaxys-RN	1719712
Chemical Name Translation	顺-3-己烯醇
Wiswesser Line Notation	Q3U3 -C
LabNetwork Molecule ID	LN01298525
Canonical SMILES	CC/C=C\CCO
InChI	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

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产品应用

正-3-己烯醇又名叶醇,它不仅常用于具有花香青香的日化香精中,也用于具有果香和薄荷香的食用香精中可用于激活花香,果香和薄荷香日化和食用香精中的头像。

安全信息

Signal word Warning

GHS Symbol

WGK Germany1

Safety Statements

S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；

Risk Statements

R10 Flammable 易燃

Precautionary statements

P242 Use only non-sparking tools. 只能使用无火花工具。
P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
P303+P361+P353
P233 Keep container tightly closed. ?保持容器密闭。
P501 Dispose of contents/container to..… 处理内容物/容器.....
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。
P301+P317
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。
P370+P378
P403+P235

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H227 Combustible liquid 可燃液体
H319 Causes serious eye irritation 严重刺激眼睛

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

RTECSMP8400000

Packing GroupIII

UN Number 1987

Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

Hazard Class3

Hazard Codes 3

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 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: 7,451,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 600 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: 7,451,1969

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: 12,909,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 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: 7,451,1969

其他信息

用途一:GB 2760—96规定为允许使用的食用香料。主要用以配制各种瓜果和薄荷型香精。
含量分析:各异构体总量及主成分含量均按GT-10-4中用极性柱进行气相色谱分析。
F:10
用途三:正-3-己烯醇又名叶醇,它不仅常用于具有花香青香的日化香精中,也用于具有果香和薄荷香的食用香精中可用于激活花香,果香和薄荷香日化和食用香精中的头像。
蒸气密度:3.45 (vs air)
FEMA:2563
MSDS 信息:Leaf alcohol(928-96-1).msds
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）叶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
Acros Organics:顺-3-己烯-1-醇 cis-3-Hexen-1-ol, 98%(928-96-1)
叶醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0124 顺-3-己烯-1-醇 cis-3-Hexen-1-ol 500ML 4570元 2014/06/02 H0124 顺-3-己烯-1-醇 cis-3-Hexen-1-ol 25ML 516元 2010/06/21 120770100 叶醇 cis-3-Hexen-1-ol 98% 10 ML 383元
海关编码:29052990
毒性:GRAS(FEMA)。 LD50 4700 mg/kg(大鼠，经口)。
Sigma Aldrich:928-96-1(sigmaaldrich)
上游原料:钠 --> 氨 --> 三苯基膦 --> 锂 --> 乙炔钠 --> 3-庚炔 --> 1-己炔-3-醇 --> 1-丁炔
Alfa Aesar:顺-3-己烯-1-醇,98% cis-3-Hexen-1-ol, 98%(928-96-1)
用途二:顺式3-己烯醇具有类似异戊醇的香味，用于制高级香料；反式3-已烯醇在非常稀和状态有浓草香味，用于特种香料的生产。
使用限量:FEMA(mg/kg)：软饮料1.0；冷饮3.7；糖果5.0；焙烤食品5.0。适度为限(FDA§172．515，2000)。
方法二:在液氨中使金属锂（或金属钠）与乙炔反应生成乙炔（或乙炔钠），再与乙醇反应生成乙基乙炔。乙基乙炔与环氧乙烷反应得到3-乙炔-1-醇，最后加氢制得产品叶醇。
参考质量标准:FCC，1996；FAO/WHO，1998 含量(顺、反异构体总量) ≥98.0% 其中顺式 ≥92.0% 折射率(n D 20 ) 1.439～1.441 相对密度(d 25 25 ) 0.846～0.850
MOL 文件:928-96-1.mol
图谱信息:叶醇(928-96-1)Raman光谱叶醇(928-96-1)核磁图( 1 HNMR) 叶醇(928-96-1)质谱(MS) 叶醇(928-96-1)核磁图( 13 CNMR) 叶醇(928-96-1)红外图谱(IR2) 叶醇(928-96-1)红外图谱(IR1)
下游产品:顺-3-己烯基丁酯 --> Z-3-甲基丁酸-3-己烯酯 --> 反-2,顺6-壬二烯醇 --> 顺式-3-己烯醇甲酸酯 --> 顺式-3-己烯醛 --> 顺式-3-己烯醇 2-甲基丁酸酯 --> 3-己烯酸乙酯 --> 丙酸顺式-3和反式-2-己烯酯(混合物)
方法一:由四氢呋喃为起始原料，或用3-己炔醇经选择性氢化而成。也可由3一氯丙醇、三苯基膦和丙醛进行Wittig反应而成。
有强力清新浓烈的青香和草香。不溶于水，溶于乙醇和丙二醇，和油混溶。
TCI Shanghai:(Z)-3-己烯-1-醇 cis-3-Hexen-1-ol,>;97.0%(GC