CAS 105-87-3 MFCD00015037-Geranyl Acetate 乙酸香叶酯 TAO{mole}

Geranyl Acetate 乙酸香叶酯

CAS 105-87-3 MFCD00015037

化学结构图

SMILES:

化学属性

Mol. Formula	C12H20O2
Mol. Weight	196.29
Density	0.916
Boiling Point	247.5±0.0 °C at 760 mmHg
Refractive index	n20/D 1.461(lit.)
Vapor Density	6.8 (vs air)
Vapor Pressure	0.07 mmHg ( 20 °C)
Flash Point	118°C(lit.)
TSCA	Yes
Solubility	<0.1 G/100 ML AT 20 ºC
Appearance	无色澄清液体。沸点242-245℃（分解），130-132℃（2.9kPa），128-129℃（2.13kPa），闪点122℃，相对密度0.907-0.981（15/4℃），折光率1.4655。溶于醇和醚，不溶于水及甘油。
Melting Point	25°C

别名和识别编码

Chemical Name	Geranyl Acetate
MDL Number	MFCD00015037
CAS Number	105-87-3
Synonym	Geranyl acetate {uni_hamburg} 2,6-Octadien-1-ol, 3,7-dimethyl- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)- 3,7-Dimethyl-trans-2,6-octadien-1-yl-acetat 3,7-Dimethyl-trans-2,6-octadien-1-yl-acetate, mixture of isomers trans-3,7-Dimethyl-2, trans-Geranyl acetate ACETIC ACID GERANYL ESTER Bay pine (oyster) oil GER Geraniol acetate Geranylacetat TRANS-3,7-DIMETHYL TRANS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE acetic acid trans-3,7-dimethyl-oct-2,6-dien-1-yl ester trans-3,7-Dimethyl-2,6-octadien-1-yl acetate, trans-3,7-Dimethyl-2,6-octadienyl acetate {} {Chemicalbook} (E {} {} {Chemicalbook} (2E)-3,7-Dimethyl-2,6-octadienyl acetate {} {} {} {uni_hamburg} Gera
PubChem Substance ID	24900977
Beilstein Registry Number	1722815
EC Number	203-341-5
Chemical Name Translation	乙酸香叶酯
Reaxys-RN	1722815
Wiswesser Line Notation	1Y&U3YU2OV1 -T
LabNetwork Molecule ID	LN00199505
Canonical SMILES	C/C(C)=C\CC/C(C)=C/COC(C)=O

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分类

{SNA} Alphabetical Listings, Certified Natural Products, E-H, Flavors and F
{SNA} Alphabetical Listings, E - H, E-H, Flavors and Fragrances, G-H, Halal Certified Products, Kosher Certified Products
{SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Citrus aurantium (Seville orange), Elettaria Cardamomum (Cardamom), Esters, Humulus lupulus (Hops), Hypericum perforatum (St John's wort), Ocimum basilicum (Basil), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Zingiber officinale (Ginger), 细胞生物学,

安全信息

WGK Germany1

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

GHS Symbol

Hazard statements

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
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。

RTECSRG5920000

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。
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。
P305+P351+P338
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

Signal word Warning

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；
S37 Wear suitable gloves 戴适当手套；

Hazard Codes Xi

Storage condition 2-8°C {LY} 2-8°C 2-8°C, protect from light {} {LY} 2-8°C {} {} {Chemicalbook} 2-8°C

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 8 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-252,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6330 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 25 ug/well
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 260,349,1991

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 250 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 368,59,1996

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1 gm/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 320,189,1994

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 200 mg/L
REFERENCE :
   TIVIEQ Toxicology In Vitro.  (Pergamon Press Inc., Maxwell House, Fairview
   Park, Elmsford, NY 10523) V.1-   1987-  Volume(issue)/page/year: 2,103,1988

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 70 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 18 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 196,61,1988

其他信息

蒸气压:0.07 mm Hg ( 20 °C)
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）乙酸香叶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
Hazard Note:Irritant
MOL 文件:105-87-3.mol
方法二:乙酸香叶酯存在于钩樟油、依兰依兰油，橙花油、橙叶油、胡荽子油、柠檬草油等天然芳香油中，可从中提取，或提取香叶醇后再进行合成。香叶醇与乙酐在乙酸钠存在下，在室温即可进行酯化反应，收率近90%，然后经洗涤，减压蒸馏得到成品。
蒸气密度:6.8 (vs air)
FEMA:2509
TCI Shanghai:乙酸香叶酯 Geranyl Acetate,>;70.0%(GC)(105-87-3)
图谱信息:乙酸香叶酯(105-87-3)红外图谱(IR1) 乙酸香叶酯(105-87-3)质谱(MS) 乙酸香叶酯(105-87-3)核磁图( 13 CNMR) 乙酸香叶酯(105-87-3)核磁图( 1 HNMR)
Acros Organics:乙酸香叶酯 3,7-Dimethyl-trans-2,6-octadien-1-yl-acetate, mixture of isomers, 98%(105-87-3)
用途三:用途广泛，花香果香配方都可用。常用于各类玫瑰香精中，以增甜修饰。也是配制人造香叶油、香柠檬油、薰衣草油、橙叶油时不可缺少的香料。它与铃兰、香罗兰、依兰、东方型，甚至草香型及其他香精复配，有协调增甜作用。香味是甜的果香，可用于杏子等水果型及酒香、辛香型等食用香精中。
上游原料:醋酸钠 --> 香叶醇 --> 苦橙花油 --> 柠檬草油 --> 芫荽油 --> 衣兰油
溶于醇(80 VOL%)、醚、石蜡油65 CP、1,2-丙二醇和邻苯二甲酸二乙酯，不溶于水及甘油。
用途四:乙酸叶叶酯清甜而平和，似有玫瑰、香柠檬、薰衣草的香气，是一切玫瑰香料的香精类所需使用的原料，为香叶酯类中的最重要品种。
用途一:用于配制玫瑰等花香型香精
MSDS 信息:Geranyl acetate(105-87-3).msds
Sigma Aldrich:105-87-3(sigmaaldrich)
方法一:在矿物酸存在时，由香叶醇与醋酸钠在醋酐存在下作用而得。
用途二:GB 2760一96规定为允许使用的食用香料。主要用以配制苹果、梨和浆果等型香精。
Alfa Aesar:乙酸香叶酯,98% Geranyl acetate, 98%(105-87-3)
F:10-23
乙酸香叶酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 G0028 乙酸香叶酯 Geranyl Acetate 500ML 1710元 2014/06/02 G0028 乙酸香叶酯 Geranyl Acetate 25ML 194元 2010/06/21 259660050 乙酸香叶酯 3,7-Dimethyl-trans-2,6-octadien-1-yl-acetate 98%, mixture of isomers 5 ML 332元