5-甲基己酸,628-46-6，生产厂家，价格-洛克化工网移动版

5-甲基己酸

中文名称：: 5-甲基己酸

中文别名：: 异庚酸;
5-甲基己酸;
异戊基乙酸

英文名称：: Hexanoic acid,5-methyl-

英文别名：: 5-METHYLHEXANOIC ACID;
isoenanthicacid;
ISOAMYLACETIC ACID;
isoheptanoic acid;
isoheptylic acid;
5-methylhexylicacid;
i-heptanoic acid;
iso-hexanoic acid;
5-methyl-hexanoicaci;
dimethyl pentanoic acid;
5-methyl-hexanoic acid;
FEMA NUMBER 3572;
5-methyl-caproic acid;
FEMA 3572;
Isoamylaceric acid

CAS No.：: 628-46-6

分子式：: C₇H₁₄O₂

分子量：: 130.18

精确分子量：: 130.09900

PSA：: 37.30000

MDL：: MFCD00036494

BRN：: 1744722

InChI：: InChI=1/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-13

危险品标志：

风险术语：: R34

安全术语：: S26 S36/S37/S39

分子结构式：

SDS：: 查看

5-甲基己酸制备方法及用途

合成制备方法

1. 烟草：OR，26；BU，26；FC，40。

5-甲基己酸物化性质

密度：: 0,91 g/cm3
沸点：: 216°C
闪点：: >100°C
存储条件/存储方法：: 存放在密封容器内，并放在阴凉，干燥处。储存的地方必须上锁，钥匙必须交给技术专家和他们的助手保管。远离氧化物，强碱存放。
稳定性相关：: 1. 远离氧化物，强碱。
2. 存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶中。
其它信息：: 1.       性状：无色液体。
2.       密度（g/mL,25/4℃）：0.91
3.       相对密度（20℃，4℃）：0.9138²¹
4.       熔点（ºC）：<-25
5.       沸点（ºC,常压）：216
6.       沸点（ºC,5.2kPa）：未确定
7.       常温折射率（n²⁰）：1.4220
8.       闪点（ºC）：102
9.       比旋光度（º）：未确定
10.    自燃点或引燃温度（ºC）：未确定
11.    蒸气压（kPa,25ºC）：未确定
12.    饱和蒸气压（kPa,60ºC）：未确定
13.    燃烧热（KJ/mol）：未确定
14.    临界温度（ºC）：未确定
15.    临界压力（KPa）：未确定
16.    油水（辛醇/水）分配系数的对数值：未确定
17.    爆炸上限（%,V/V）：未确定
18.    爆炸下限（%,V/V）：未确定
19.    溶解性：稍微溶于水，溶于乙醇、乙醚、丙酮、苯等。

5-甲基己酸安全信息

包装等级：: II
风险类别：: 8
危险类别码：: 34
安全说明：: S26-S36/37/39
RTECS号：: MO8400900
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:

5-甲基己酸毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MO8400900

CHEMICAL NAME :: Hexanoic acid, 5-methyl-

CAS REGISTRY NUMBER :: 628-46-6

BEILSTEIN REFERENCE NO. :: 1744722

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H14-O2

MOLECULAR WEIGHT :: 130.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 3 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB91-141838

毒理学数据：

急性毒性：

主要的刺激性影响：

在皮肤上面：在皮肤和黏膜上造成腐蚀性影响

刺激皮肤和黏膜

在眼睛上面：

强烈的腐蚀性影响

刺激的影响。

致敏作用：没有已知的敏化影响。

生态数据：

总括注解

水危害级别1（德国规例）（通过名单进行自我评估）该物质对水有稍微危害的。

不要让未稀释或大量的产品接触地下水、水道或污水系统。

若无政府许可，勿将材料排入周围环境。

5-甲基己酸 MSDS

5-Methylhexanoic Acid Revision number: 5
SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        5-Methylhexanoic Acid

  Revision number:        5

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 1
  Corrosive to metals
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger
  Hazard statements        May be corrosive to metals
    Causes severe skin burns and eye damage
  Precautionary statements:
  [Prevention]        Keep only in original container.
    Do not breathe dust/fume/gas/mist/vapours/spray.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Absorb spillage to prevent material damage.
  [Storage]        Store locked up.
  [Disposal]        Dispose of contents/container through a waste management company authorized by
    the local government.
  5-Methylhexanoic Acid

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Components:        5-Methylhexanoic Acid
  Percent:        >98.0%(T)(GC)
  CAS Number:        628-46-6
  Chemical Formula:        C7H14O2

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
    induce vomiting.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  media:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.
    Prevent generation of vapour or mist. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.
    Use corrosive resistant equipment.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Comply with laws. Keep only in original container.
  Packaging material:
  5-Methylhexanoic Acid

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid
    Clear
  Form:
  Colour:        Colorless - Slightly pale yellow
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        216°C
  Flash point:        102°C
  Flammability or explosive
  limits:
  Lower:        No data available
  Upper:        No data available
  Relative density:        0.91
  Solubility(ies):
  [Water]        No data available
  [Other solvents]        No data available

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available
  Reproductive toxicity:        No data available
  RTECS Number:        MO8400900

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
  Crustacea:        No data available
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  5-Methylhexanoic Acid

Section 12. ECOLOGICAL INFORMATION
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available
    No data available
  Henry's Law
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
    8: Corrosive.
  Hazards Class:
  UN-No:        3265
    Corrosive liquid, acidic, organic, n.o.s.
  Proper shipping name:
  Packing group:        III

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

5-甲基己酸分子结构与计算化学数据

分子结构数据

1、摩尔折射率：36.00

2、摩尔体积（cm³/mol）：139.0

3、等张比容（90.2K）：329.8

4、表面张力（dyne/cm）：31.6

5、极化率（10^-24cm³）：14.27

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积37.3

7.重原子数量:9

8.表面电荷:0

9.复杂度:86.9

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

5-甲基己酸上游产品

6-甲基-2-庚酮乙基 5-甲基己酸酯异辛烯 5-methyl-hexanoic acid tert-butyl ester 6-甲基-2-庚酮乙基 5-甲基己酸酯异辛烯 5-methyl-hexanoic acid tert-butyl ester

5-甲基己酸下游产品

5-甲基己酸甲酯 5-甲基己腈 1-溴-5-甲基己烷 6,6-dimethyloxan-2-one 5-甲基-1-己醇 5-甲基己酸甲酯 5-甲基己腈 1-溴-5-甲基己烷 6,6-dimethyloxan-2-one 5-甲基-1-己醇

5-甲基己酸

5-甲基己酸制备方法及用途

合成制备方法

5-甲基己酸物化性质

5-甲基己酸安全信息

5-甲基己酸毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

5-甲基己酸 MSDS

5-甲基己酸分子结构与计算化学数据

分子结构数据

计算化学数据

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5-甲基己酸 毒理性

CHEMICAL IDENTIFICATION

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5-甲基己酸 MSDS

5-甲基己酸 分子结构与计算化学数据

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