gamma-Phenyl-gamma-butyrolactone

HCID 13884

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1008-76-0
Standard SMILES: O=C1CCC(c2ccccc2)O1
InChIKey: AEUULUMEYIPECD-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Names & identifiers

Preferred name: gamma-Phenyl-gamma-butyrolactone
IUPAC: 5-phenyloxolan-2-one
English name: gamma-Phenyl-gamma-butyrolactone
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

1008-76-0gamma-Phenyl-gamma-butyrolactoneRefChem:10857085-phenyloxolan-2-one5-Phenyldihydrofuran-2(3H)-one4-Phenylbutanolide2(3H)-Furanone, dihydro-5-phenyl-4-Phenyl-4-butanolide4-Phenylbutyrolactone5-Phenyltetrahydrofuran-2-one4-Phenyl-4-hydroxybutanoic acid lactoneNSC 24259

Show more names

γ-phenyl-γ-butyrolactoneγ-Phenyl-γ-butyrolactonegamma-Phenylbutyrolactoneγ-Phenyl-γ-butyrolactone>5-PHENYL-DIHYDRO-FURAN-2-ONE

4,5-Dihydro-5-phenyl-2(3H)-furanoneMFCD00005398NSC 480482(3H)-FURANONE, 4,5-DIHYDRO-5-PHENYL-.gamma.-Phenyl-.gamma.-butyrolactone.gamma.-PhenylbutyrolactoneCHEMBL1919895-Phenyldihydro-2(3H)-furanone

Database identifiers

CAS: 1008-76-0
PubChem CID: 13884
DTXSID: DTXSID50870831
ChEMBL: CHEMBL191989
UNII: MSP7V2HE35
EC Number: 213-761-0
Nikkaji: J75.506K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: 36 · 36-37 °C (lit.)
Boiling point: 306 °C · 306 °C (lit.)
Density: 1.155 g/mL · 1.155 g/mL at 25 °C (lit.)
refractive index: 1.5415 · 1.5415-1.5435
Flash point: 230 °F · >230 °F
form: Liquid After Melting
color: Clear colorless to yellow
Water Solubility: Insoluble in water.
BRN: 125169 · 125169
InChI: 1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey: AEUULUMEYIPECD-UHFFFAOYSA-N
SMILES: O=C1CCC(O1)c2ccccc2
CAS DataBase Reference: 1008 · 1008-76-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 3690000 · LU3690000
HS Code: 29322985 · 29322985
Storage Class: 11 · 11 - Combustible Solids

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 · 5 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: LU3690000
hs_code: 29322985
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

4-Phenylbutyryl chloride

Suppliers46 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

24 records

New reaction record

HRID 35155As reactantuspto-grants-1988_08

HRID 46742As productuspto-grants-1979_11

HRID 88652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 178858As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 413197As reactantuspto-grants-2003_05

HRID 413199As reactantuspto-grants-2003_05

HRID 413203As reactantuspto-grants-2003_05

HRID 429172As reactantuspto-grants-2001_11

Compound notes

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