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Basic information
- CAS
2959-96-8- Standard SMILES
O=C1CCC(c2ccccc2)C(=O)O1- InChIKey
NVPRNSAYSSEIGR-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 2-Phenylglutaric anhydride
- IUPAC
- 3-phenyloxane-2,6-dione
- English name
- 2-Phenylglutaric anhydride
- Molecular formula
- C11H10O3
- Molecular weight
- 190.2
Names & synonyms
2959-96-82-Phenylglutaric anhydrideRefChem:478180220-991-53-Phenyldihydro-2H-pyran-2,6(3H)-dione3-phenyloxane-2,6-dione2H-Pyran-2,6(3H)-dione, dihydro-3-phenyl-MFCD00006681.alpha.-Phenylglutaric anhydride2-Phenylglutaric Anhydride(>80%)Dihydro-3-phenyl-2H-pyran-2,6(3H)-dione; 2-Phenylpentanedioic Acid Anhydride;3-Phenyloxane-2,6-dione; NSC 65629;EINECS 220-991-5
Show more names
AKOS MAKOS MSC-01444-Phenylglutaric anhydrideALPHA-PHENYLGLUTARIC ANHYDRIDE2-Phenylglutaric anhydride,97%2-PHENYLGLUTARIC ANHYDRIDE 95%2-Phenylglutaric acid anhydride
2-Phenylglutaric anhydride treated BSANCIOpen2_000311SCHEMBL192372DTXSID108710012-Phenylglutaric anhydride, 95%3-phenyltetrahydropyran-2,6-dione3-Phenyl-dihydro-pyran-2,6-dioneCAA95996
Database identifiers
- CAS
2959-96-8- PubChem CID
- 96293
- DTXSID
DTXSID10871001- EC Number
- 220-991-5
- Nikkaji
- J165A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 95 · 95-99 °C (lit.)
- Boiling point
- 218 °C/13 · 218 °C/13 mmHg (lit.)
- Density
- 1.1752 · 1.1752 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- 1S/C11H10O3/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
- InChIKey
- NVPRNSAYSSEIGR-UHFFFAOYSA-N
- SMILES
- O=C1CCC(C(=O)O1)c2ccccc2
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Applications
Uses2-Phenylglutaric Anhydride is used in preparation of peptides containing modified amino acids as GLP-1R and GIPR modulators.
Suppliers15 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [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]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
厦门英莫特生物医药科技有限公司15710668275 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
7 records
Compound notes
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