Cyclopentane-1,1-diacetic anhydride

HCID 79743

Notes Reactions

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Basic information

CAS: 5662-95-3
Standard SMILES: O=C1CC2(CCCC2)CC(=O)O1
InChIKey: GFWLMILMVMCJDI-UHFFFAOYSA-N
Molecular formula: C9H12O3
Average molar mass: 168.19 g/mol
Monoisotopic mass: 168.07864424

Names & identifiers

Preferred name: Cyclopentane-1,1-diacetic anhydride
IUPAC: 8-oxaspiro[4.5]decane-7,9-dione
English name: 3,3-Tetramethyleneglutaric anhydride
Molecular formula: C9H12O3
Molecular weight: 168.19

Names & synonyms

8-Oxaspiro[4.5]decane-7,9-dione5662-95-3Cyclopentane-1,1-diacetic anhydrideDTXSID20205196EINECS 227-116-6NSC 784488-Oxaspiro(4.5)decane-7,9-dioneRefChem:580960DTXCID20127687227-116-63,3-Tetramethyleneglutaric anhydride1,1-Cyclopentanediacetic anhydride

Show more names

NSC78448T5343013T21954_ALDRICHBuspirone Impurity 13Refametinib Impurity 68-oxaspiro[4.5]decane-7,9-quinone

MFCD000066788-oxaspiro[4.5]decan-7,9-dioneSTR070228-Oxaspiro[4.5]-7,9-decanedioneNSC-784483,3-tetramethylene glutaric anhydrideSB13095.beta.,.beta.-Tetramethyleneglutaric anhydride

Database identifiers

CAS: 5662-95-3
PubChem CID: 79743
DTXSID: DTXSID20205196
UNII: WL8R6QET6P
EC Number: 227-116-6
Nikkaji: J208.216K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 208

Physicochemical properties

Melting point: 64 · 64-66 °C (lit.)
Boiling point: 186 °C/15 · 186 °C/15 mmHg (lit.)
Density: 1.1322 · 1.1322 (rough estimate)
refractive index: 1.533 · 1.5330 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
color: White to Almost white
Water Solubility: decomposes
BRN: 383703 · 383703
InChI: 1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2
InChIKey: GFWLMILMVMCJDI-UHFFFAOYSA-N
SMILES: O=C1CC2(CCCC2)CC(=O)O1
CAS DataBase Reference: 5662 · 5662-95-3(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3,3-Tetramethyleneglutaric anhydride(5662-95-3)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
F: 9 · 9-21
HS Code: 29172000 · 29172000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 9-21
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29172000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-24/25
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338