CAS 695-06-7 MFCD00005401-4-Hexanolide γ-己内酯 -LabNovo

4-Hexanolide γ-己内酯

CAS 695-06-7 MFCD00005401

化学结构图

SMILES: CCC1CCC(=O)O1

化学属性

Mol. Formula	C6H10O2
Mol. Weight	114
Density	1.023
Refractive index	n20/D 1.439(lit.)
Flash Point	98°C(lit.)
TSCA	Yes
Boiling Point	219
Melting Point	-18
Appearance	无色液体。沸点220℃，溶于乙醇及油类。有温和有力的带药草味的香豆素样香气，有香豆素、焦糖样味觉。

别名和识别编码

Chemical Name	4-Hexanolide
MDL Number	MFCD00005401
Synonym	γ-乙基-& γ-乙基-γ-丁内酯 γ-己内酯 (±)-γ-Ethyl-γ-butyrolactone (±)-γ-Hexalactone -Hexanolactone 4-Ethyl-4-butanolide 4-Ethyl-4-hydroxybutanoic acid lactone 4-Ethyl-4-hydroxybutanoic acid lactone; Ethyl butyrolactone; Hexanolide-1,4; gamma-Ethyl-gamma-butyrolactone; gamma-Hexalactone; gamma-Caprolactone; gamma-Hexanolactone 4-HYDROXYHEXANOIC ACID G-LACTONE 4-Hexanolide 5-Ethyltetrahyd 6-Caprolactone GAMMA-HEXALACTONE HEXALACTONE, GAMMA- HEXANOLACTONE, GAMMA- Hexanolid-1,4 Tonkalide Toukalide gamma-Hexalactone {} {} {Chemical {} {} {uni_ham Γ-己醇内酯 γ-Caprolactone γ-Ethylbutyrola γ-Hexanolactone γ-Hexanolide
EC Number	211-778-8
CAS Number	695-06-7
Beilstein Registry Number	107260
PubChem Substance ID	12756
Reaxys-RN	107260
Chemical Name Translation	γ-己内酯
Wiswesser Line Notation	T5OVTJ E2
LabNetwork Molecule ID	LN00193585
InChI	InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3

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安全信息

RTECSLU4220000

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

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 Wear suitable protective clothing 穿戴适当的防护服；

GHS Symbol

WGK Germany2

Hazard statements

H319 Causes serious eye irritation 严重刺激眼睛
H316 Causes mild skin irritation 会轻微的刺激皮肤

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

Precautionary statements

P305+P351+P338
P332+P313

Signal word Warning

Hazard Codes Xi

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: 17,794,1979

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: 17,794,1979

其他信息

使用限量:FEMA(mg/kg)：软饮料7.0；冷饮0.07~84；糖果21；焙烤食品21。适度为限(FDA§172．515，2000)。
毒性:GRAS(FEMA)。
MOL 文件:695-06-7.mol
参考质量标准:FCC，1996；FAO/WHO，1998 含量 ≥98.0％酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.437～1.442 相对密度(d 25 25 ) 1.020~1.025 醇中溶解度 lml溶于lmL95%乙醇
不溶于水，易溶于醇类有机溶剂。有浓甜药草、焦糖样香气。
用途二:在香精中常用作香豆素的修饰剂，如在薰衣草、香薇以及用橡苔作苔香增甜剂的香型中。食用香精中广泛用于奶油、蜜香、香荚兰豆、焦糖及果香复方和烟草香精中。
方法一:由环氧乙烷与钠代丙二酸酯反应而得。
Alfa Aesar:γ-己醇内酯,98% gamma-Hexanolactone, 98%(695-06-7)
图谱信息:gamma-己内酯(695-06-7)质谱(MS) gamma-己内酯(695-06-7)核磁图( 1 HNMR) gamma-己内酯(695-06-7)红外图谱(IR1) gamma-己内酯(695-06-7)Raman光谱 gamma-己内酯(695-06-7)核磁图( 13 CNMR)
Hazard Note:Irritant
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） γ-己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
FEMA:2556
含量分析:按GT-10-4中气相色谱法分析，用极性柱测定。
gamma-己内酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0514 γ-己内酯 gamma-Hexanolactone 25ML 254元 2010/05/25 A19642 γ-己醇内酯, 98% gamma-Hexanolactone, 98% 25g 288元 2010/05/25 A19642 γ-己醇内酯, 98% gamma-Hexanolactone, 98% 100g 808元
TCI Shanghai:g-己内酯 gamma-Hexanolactone,>;98.0%(GC)(695-06-7)
用途一:GB 2760-96规定为允许使用的食用香料。主要用于配制椰子、奶油、蜜糖、香荚兰豆、水果和烟草等型香精。
上游原料:环氧
Sigma Aldrich:695-06-7(sigmaaldrich)