CAS 2497-18-9 MFCD00009474-Trans-2-Hexenyl Acetate (E)-乙酸-2-己烯酯 TAO{mole}

Trans-2-Hexenyl Acetate (E)-乙酸-2-己烯酯

CAS 2497-18-9 MFCD00009474

化学结构图

SMILES: CCC/C=C/COC(C)=O

化学属性

Mol. Formula	C8H14O2
Mol. Weight	142.20
Density	0.898
Refractive index	1.4250 to 1.4290
Boiling Point	165-166 °C at 760 mmHg
Flash Point	64°C(lit.)
TSCA	Yes
Appearance	无色至淡黄色液体。呈青草香韵。沸点166℃。溶于乙醇。
Melting Point	-65.52 °C

别名和识别编码

Chemical Name	Trans-2-Hexenyl Acetate
Synonym	(E)-Hex-2-en-1-yl acetate {LY} (E)-Hex-2-en-1-yl acetate {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-y
CAS Number	2497-18-9
EC Number	219-680-7
Beilstein Registry Number	1721851
MDL Number	MFCD00009474
PubChem Substance ID	2733294
Reaxys-RN	1721851
Chemical Name Translation	(E)-乙酸-2-己烯酯
Wiswesser Line Notation	4U2OV1
LabNetwork Molecule ID	LN01739972
InChI	InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
Canonical SMILES	CC(OC/C=C/CCC)=O

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安全信息

Signal word Warning

GHS Symbol

WGK Germany2

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；
S33 Take precautionary measures against static discharges 对静电采取预防措施；
S36 Wear suitable protective clothing 穿戴适当的防护服；
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；
S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用（指明具体的消防器材种类，如果用水增加危险，注明“禁止用水”
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；
S7 Keep container tightly closed 保存在严格密闭容器中；

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

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。
P233 Keep container tightly closed. ?保持容器密闭。
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。
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。
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。
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+P332+P313+P362+P364
P303+P361+P353
P305+P351+P338
P305+P351+P338+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+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
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

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

RTECSMP8425000

Packing GroupIII

UN Number 3272

Hazard Codes 3

Hazard Class3

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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,793,1979

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: 17,793,1979

Storage condition

其他信息

微溶于水，溶于油。
图谱信息:乙酸反-2-己烯酯(2497-18-9)红外图谱(IR2) 乙酸反-2-己烯酯(2497-18-9)Raman光谱乙酸反-2-己烯酯(2497-18-9)红外图谱(IR1) 乙酸反-2-己烯酯(2497-18-9)核磁图( 1 HNMR) 乙酸反-2-己烯酯(2497-18-9)质谱(MS) 乙酸反-2-己烯酯(2497-18-9)核磁图( 13 CNMR)
用途一:GB 2760--1996允许使用的食用香料。
Sigma Aldrich:2497-18-9(sigmaaldrich)
MOL 文件:2497-18-9.mol
上游原料:乙烯醇
使用限量:FEMA(mg/kg)：饮料0.28；冰淇淋0.40；糖果、焙烤食品1.7。适度为限(FDA，§172．515，2000)。
方法一:由反式-2-乙烯醇与乙酸酯化而成。
Acros Organics:乙酸反-2-己烯酯 trans-2-Hexenyl acetate, 98%(2497-18-9)
毒性:GRAS(FDA，§172．515；FEMA)。‘
FEMA:2564
参考质量标准:FCC，1996 含量(顺、反式总量) ≥98.0% 其中反式 ≥90% 折射率 1.425～1.430 相对密度 0.890~0.897 醇中溶解度 lml溶于1mL 95%乙醇
TCI Shanghai:(E)-乙酸-2-己烯酯 trans-2-Hexenyl Acetate,>;95.0%(GC)(2497-18-9)
Alfa Aesar:反式-2-己烯-醋酸盐,98% trans-2-Hexenyl acetate, 98%(2497-18-9)
乙酸反-2-己烯酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 A0877 乙酸反-2-己烯酯 trans-2-Hexenyl Acetate 25ML 286元 2014/06/02 A0877 乙酸反-2-己烯酯 trans-2-Hexenyl Acetate 250ML 1590元 2010/06/21 310530500 乙酸反-2-己烯酯 trans-2-Hexenyl acetate 98% 50 GR 414元
含量分析:按气相色谱法(GT-10-4)用极性柱进行测定。