Basic information
- CAS
2082-59-9- Standard SMILES
CCCCC(=O)OC(=O)CCCC- InChIKey
DUCKXCGALKOSJF-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559444
Names & identifiers
- Preferred name
- Valeric anhydride
- IUPAC
- pentanoyl pentanoate
- English name
- VALERIC ANHYDRIDE
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
Valeric anhydride2082-59-9Pentanoic anhydridePentanoic acid, anhydridePentanoic acid, 1,1'-anhydrideN9B5ZQ67R5DTXSID70870934EINECS 218-212-9RefChem:901587DTXCID70818614218-212-9pentanoyl pentanoate
Show more names
eric AnhydridePenic anhydrideValeriansureanhydridVALERIC ANHYDRIDE 98%Valeric anhydride,98%
n-Valeric anhydrideVALERICANHYDRIDEMFCD00009477Pentanoic Acid 1,1'-Anhydriden-pentanoic anhydrideValeric anhydride; >95%valeric acid anhydridepentanoic acid anhydride
Database identifiers
- CAS
2082-59-9- PubChem CID
- 74959
- DTXSID
DTXSID70870934- UNII
- N9B5ZQ67R5
- EC Number
- 218-212-9
- Nikkaji
- J7.319I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -56 °C · -56 °C (lit.)
- Boiling point
- 228 · 228-230 °C (lit.)
- Density
- 0.944 g/mL · 0.944 g/mL at 20 °C (lit.)
- vapor pressure
- 5 Pa · 5Pa at 25℃
- refractive index
- 20 · n20/D 1.421(lit.)
- Flash point
- 214 °F · 214 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 0.945 · 0.945-0.95 (20.00 °C)
- color
- Clear colorless to yellow
- Water Solubility
- 486.3 mg/L · 486.3 mg/L (25 °C,est)
- BRN
- 1770130 · 1770130
- InChI
- 1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3
- InChIKey
- DUCKXCGALKOSJF-UHFFFAOYSA-N
- SMILES
- CCCCC(=O)OC(=O)CCCC
- LogP
- 3.33 at · 3.33 at 25℃
- CAS DataBase Reference
- 2082 · 2082-59-9(CAS DataBase Reference)
- FDA UNII
- 9 B5ZQ67R5 · N9B5ZQ67R5
- EPA Substance Registry System
- Pentanoic acid, anhydride (2082-59-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29159000 · 29159000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (27.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P333+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pentanoic acid, anhydride
Status: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20891
Pentanoic anhydride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pentanoic acid, anhydride: Human health tier I assessment
Hazard Classes and CategoriesSkin Corr. 1C (27.9%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 3
- hs_code
- 29159000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanoic acid, 1,1'-anhydride: ACTIVE
Applications
DescriptionValeric anhydride is an important organic synthetic raw material or intermediate component, often used in industrial or medical fields. It can be used in the preparation of butylphthalide, resin components, lutein esters, analgesics and organic glass.
UsesValeric Anhydride is used in the synthesis of non-imadazole histamine H3-antagonists. Also used in the preparation of millepachine derivatives as a new class of tubulin polymerization inhibitors.
UsesValeric anhydride can be used as a reactant to synthesize:Alkyl 9-nitrocamptothecin esters by the esterification reaction.Modified bismuth metal-organic frameworks (Bi-MOFs).O-acylated chitosan nanofibers (CSNFs) for potential usage in biomaterials and food packaging.
Preparation methods
PreparationValeric anhydride was obtained by a treatment of the anhydrous sodium valerate by acid chloride of valeric acid[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
石家庄苏瑞化工有限公司15833970389 15833970389 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
宜兴市文成化工有限公司13961572207 13961572207 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
邯郸市华骏化工有限公司13303008150 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
武汉贝乐叶生物医药科技有限公司15871353653 18086118076 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
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河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
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TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
南京顺象医药科技有限公司025-86819868 13951004015
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
上海博景化工有限公司021-37199966 13681836088 · [email protected]
Related reactions
9 records
Compound notes
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