CAS 124-07-2 MFCD00004429-Octanoic acid 辛酸 TAO{mole}

Octanoic acid 辛酸

CAS 124-07-2 MFCD00004429

化学结构图

SMILES: CCCCCCCC(=O)O

化学属性

Mol. Formula	C8H16O2
Mol. Weight	144.21
Refractive index	1.4260 to 1.4290
Boiling Point	237 °C at 760 mmHg
Density	0.91 g/mL at 25 °C(lit.)
Melting Point	16 °C
Vapor Density	5 (vs air)
Vapor Pressure	1 mmHg ( 78 °C)
Flash Point	109°C(lit.)
TSCA	Yes
Solubility	0.68 G/L (20 ºC)

别名和识别编码

Chemical Name	Octanoic acid
Synonym	Octanoic acid {LY} Octanoic acid {} {LY} Octanoic acid {} {} {LY} Octanoic acid {} {} {} {LY} Octanoic acid {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	124-07-2
PubChem Substance ID	379
EC Number	204-677-5
Beilstein Registry Number	2,347
MDL Number	MFCD00004429
Merck Number	1765
Chemical Name Translation	辛酸
Reaxys-RN	1747180
Wiswesser Line Notation	QV7
LabNetwork Molecule ID	LN00196394
InChI	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
Canonical SMILES	CCCCCCCC(O)=O

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分类

{SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Curcuma longa (Turmeric), Elettaria Cardamomum (Cardamom), Fatty Acids and conjugates, Fatty Acyls, Ginkgo biloba, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Sambucus nigra (Elderberry), Straight Chain Fatty Acids, Zingiber officinale (Ginger), 生化试剂, 细胞生物学, 脂类, 营养研究
{SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products,
{SNA} Alphabetical Listings, Certified F

产品应用

气相色谱分析标准。防腐剂。杀菌剂。香料、染料、增塑剂、润滑剂的制造。

安全信息

GHS Symbol

WGK Germany1

Hazard Codes C C,Xi

Hazard statements

H290 May be corrosive to metals 可能腐蚀金属。
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。

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

RTECSRH0175000

Precautionary statements

P305+P351+P338
P304+P340+P310
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。
P303+P361+P353
P501 Dispose of contents/container to..… 处理内容物/容器.....
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338+P310
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P301+P330+P331+P310
P304+P340

Signal word Danger

Safety Statements

S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S25 Avoid contact with eyes 避免眼睛接触；
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；
S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
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；
S36/37/38

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
R34 Causes burns 会导致灼伤

Packing GroupIII

UN Number UN3265 3265 UN 3265 8/PG 3

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 {} {} {} {} {} {} {} {} {} {}

Hazard Class8

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   18,141,1961

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: 19,237,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10080 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - hypermotility, diarrhea
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            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Non-mammalian species Cells - not otherwise specified
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   CHROAU Chromosoma.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1939-  Volume(issue)/page/year:
   40,1,1973

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 5 ppm
REFERENCE :
   ANYAA9 Annals of the New York Academy of Sciences.  (New York Academy of
   Sciences, 2 E. 63rd St., New York, NY 10021)  V.1-    1877-
   Volume(issue)/page/year: 407,186,1983

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Non-mammalian species Cells - not otherwise specified
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   CHROAU Chromosoma.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1939-  Volume(issue)/page/year:
   40,1,1973

其他信息

蒸气压:1 mm Hg ( 78 °C)
FEMA:2799
下游产品:正辛醇 --> 环己醇 --> N-甲基辛胺 --> 正辛醛 --> 6-甲氧基-2-萘甲酸 --> 助焊剂 FC-154,碘化三甲基·全氟辛酰胺基丙胺 --> 辛酰溴苯腈 --> 丙三醇辛酯聚氧乙烯醚 --> 辛酰氯 --> 单辛酸甘油酯 --> 轻水泡沫灭火剂 FN-3 --> 辛酸甲酯 --> 甘油基聚环氧乙烷 --> 辛酸异戊酯 --> 辛酸戊酯 --> 辛醇 --> 辛酸庚酯 --> 辛酸-2-丙烯酯 --> 辛酸-2-苯乙酯 --> 辛酸乙酯 --> 辛癸酸甘油酯 --> 辛酸壬酯 --> 胶姆糖软化剂 --> 辛酸己酯 --> 牛血清白蛋白
上游原料:丙二酸 --> 正辛醇 --> 过氧乙酸 --> 椰子油 --> 1-辛烯 --> 柠檬 --> 正辛醛
Hazard Note:Irritant
外观性质:无色油状液体或结晶，有不愉快的气味。
蒸气密度:5 (vs air)
TCI Shanghai:辛酸 n-Octanoic Acid,>;98.0%(GC)(T)(124-07-2)
辛酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30035728 正辛酸 500ml 33.1元 2011/08/23 40006661 正辛酸 2ml 23.8元 2011/04/16 O0027 正辛酸 n-Octanoic Acid 25ML 109元
Alfa Aesar:辛酸,98+% Octanoic acid, 98+%(124-07-2)
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）辛酸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
方法二:天然品存在于肉豆蔻、柠檬草、苹果、椰子油、葡萄酒、酒花等中，用挥发性脂肪酸分馏法从椰子油中提取可获得辛酸，工业上生产辛酸是采用辛醛为原料，在实验室制备时采用正己基丙二酸加热放出二氧化碳，减压至4-6.65kPa使反应完全。最后将反应产物减压蒸馏，收集127-129℃（2.13kPa）馏分即为辛酸。收率80-85%。由1-辛烯和过醋酸反应可制得辛酸。此外还有正辛醇氧化脱氢法。
图谱信息:辛酸(124-07-2)核磁图( 13 CNMR) 辛酸(124-07-2)红外图谱(IR1)
MSDS 信息:辛酸(124-07-2).msds
用途二:用于染料、香料、医药的合成，制备杀虫剂、杀菌剂、增塑剂等
Sigma Aldrich:124-07-2(sigmaaldrich)
Acros Organics:正辛酸 Octanoic acid, 99%(124-07-2)
略有不愉快气味。溶于醇和醚，水中溶解度:0.68 g/L (20°C)。
用途三:GB 2760-96规定为允许使用的食用香料；消泡剂。美国ECFR§170.3(O)(2)]准用作干酪包的防腐剂。
用途一:用于有机合成及制药工业
用途五:气相色谱分析标准。防腐剂。杀菌剂。香料、染料、增塑剂、润滑剂的制造。
用途四:用于制造染料、药物、香料等，该品是GB 2760-86规定允许使用的食用香料。还用作杀虫剂、防霉剂、防锈剂、缓蚀剂、发泡剂、消泡剂等。
MOL 文件:124-07-2.mol
方法一:用挥发性脂肪酸分馏法从椰子油中提取而得。由正辛醇氧化而得。