2-Propylpentanoic Acid 丙戊酸

CAS 99-66-1 MFCD00002672

化学结构图

99-66-1
SMILES: CCCC(CCC)C(=O)O

化学属性

Mol. FormulaC8H16O2
Mol. Weight144.21
Density0.920
Refractive index1.4230 to 1.4260
Flash Point111.11°C
TSCANo
Boiling Point220°C at 760 mmHg
Solubility略溶于水
Melting Point-21.25 °C

别名和识别编码

Chemical Name2-Propylpentanoic Acid
MDL NumberMFCD00002672
CAS Number99-66-1
Synonym Valproic acid {LY} Valproic acid {} {LY} Valproic acid {} {} {LY} Valproic acid {} {} {} {LY} Valproic acid {} {} {} {} {LY} Valproic acid {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Valproic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID3121
EC Number202-777-3
Merck Number9913
Beilstein Registry Number1750447
Chemical Name Translation丙戊酸
Reaxys-RN1750447
Wiswesser Line NotationQVY3&3
LabNetwork Molecule IDLN00193777
InChIInChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
Canonical SMILESCCCC(CCC)C(O)=O
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分类

  • {SNA} Analytical St
  • {SNA} Antitumor Agents, Application Index, Bioactive Small Molecules, Biochemicals and Reagents, Branched Fatty Acids, Cancer Research, Cell Biology,
  • {SNA} Analytical Standards,
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Analytical Standards, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Valproic acid,
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Additional Standards, Analytical Standards, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Valproic acid, 分析/色谱
  • {SNA} Application Index,

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P312+P330
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning
RTECSYV7875000
Packing GroupIII
UN Number 3265 UN3265
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
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;
  • S36/37/39 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;
  • 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);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Hazard Codes 8 Xn
TYPE OF TEST            : TDLo - Low

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 21 mg/kg/2D-I
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - other changes
REFERENCE :
   NEURAI Neurology.  (Modern Medicine Pub., Inc., 1 E. First St., Duluth, MN
   55802)  V.1-    1951-  Volume(issue)/page/year: 37,886,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - child
DOSE/DURATION           : 375 mg/kg
TOXIC EFFECTS :
   Cardiac - pulse rate increase, without fall in BP
   Vascular - BP lowering not characterized in autonomic section
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   CCMDC7 Critical Care Medicine.  (Williams & Wilkins, 428 E. Preston Street,
   Baltimore, MD 21202) V.1-    1973-  Volume(issue)/page/year: 21,299,1993

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - child
DOSE/DURATION           : 1800 mg/kg/60D
TOXIC EFFECTS :
   Gastrointestinal - changes in structure or function of endocrine pancreas
   Gastrointestinal - nausea or vomiting
REFERENCE :
   LANCAO Lancet.  (7 Adam St., London WC2N 6AD, UK)  V.1-    1823-
   Volume(issue)/page/year: 1,1196,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 824 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GNAW "Pharmacodynamie de l'Acide Dipropylacetique (ou
   Propyl-2-Pentanoiqu

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 34 gm/kg
SEX/DURATION            : male 60 day(s) pre-mating
                          female 2 week(s) pre-mating  - 1 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
   (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
   20037)  V.1

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 720 mg/kg
SEX/DURATION            : female 1-90 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   CPEDAM Clinical Pediatrics (Philadelphia).  (Lippincott/Harper, Journal
   Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740)  V.1-    1962-
   Volume(issue)/page/year: 22,336,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 6525 mg/kg
SEX/DURATION            : female 26 week(s) pre-mating
                          female 1-36 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
   Reproductive - Effects on Newborn - biochemical and metabolic
   Reproductive - Effects on Newborn - physical
REFERENCE :
   CPEDAM Clinical Pediatrics (Philadelphia).  (Lippincott/Harper, Journal
   Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740)  V.1-    1962-
   Volume(issue)/page/year: 23,352,1984

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

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