zinc;(Z)-4-oxopent-2-en-2-olate

HCID 5360437

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 14024-63-6
Standard SMILES: CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Zn+2]
InChIKey: CYDXJXDAFPJUQE-FDGPNNRMSA-L
Molecular formula: C10H14O4Zn
Average molar mass: 263.6 g/mol
Monoisotopic mass: 262.01835113

Names & identifiers

Preferred name: zinc;(Z)-4-oxopent-2-en-2-olate
IUPAC: zinc bis((Z)-4-oxopent-2-en-2-olate)
English name: Zinc(II) acetylacetonate
Molecular formula: C10H14O4Zn
Molecular weight: 263.61

Names & synonyms

Zinc(II) acetylacetonatezinc;(Z)-4-oxopent-2-en-2-olateZinc(II) acetylacetonate hydrateSCHEMBL19237CYDXJXDAFPJUQE-FDGPNNRMSA-LAKOS015900157FZ54798ZINC ACETYLACETONATEbis(acetylacetonato)zincZaaZinc acetylacetonate dihydrateBIS(2,4-PENTANEDIONATO)ZINC(II)

Show more names

2,4-PENTANEDIONE ZINC DERIVATIVE(CH3COCHCOCH3)2ZnAcetylacetone zinczincacetoacetonatezincdiacetoacetate

Database identifiers

CAS: 14024-63-6
PubChem CID: 5360437
DTXSID: DTXSID601014777
UNII: 8F3XXD1RZO

Properties

Computed structural properties

Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 90.4

Physicochemical properties

Melting point: 124 · 124-126 °C
Boiling point: 129 · 129-131 °C (10 mmHg)
bulk density: 500 kg/m3 · 500kg/m3
Density: 1.544 · 1.544[at 20℃]
vapor pressure: 0 Pa · 0Pa at 25℃
storage temp.: 30 °C · Store below +30°C.
solubility: soluble in Methanol
pka: 8.8 · 8.8[at 20 ℃]
form: Powder
color: White to ivory
PH: 10 · 10 (20°C, 4g/L in H2O)
Water Solubility: 9.1 g/L · 9.1g/L at 20℃
Hydrolytic Sensitivity: 4 · 4: no reaction with water under neutral conditions
InChI: 1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
InChIKey: NHXVNEDMKGDNPR-UHFFFAOYSA-N
SMILES: [Zn+2].O=C([C-H]C(=O)C)C.O=C([C-H]C(=O)C)C
LogP: 0.2 at · 0.2 at 22℃
CAS DataBase Reference: 14024 · 14024-63-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8 F3XXD1RZO · 8F3XXD1RZO
NIST Chemistry Reference: Bis(acetylacetonato)zinc(14024-63-6)
EPA Substance Registry System: Zinc, bis(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (T-4)- (14024-63-6)
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H319-H410
Precautionary statements: 261 · P261-P264-P273-P280-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36-36/37/38
Safety Statements: 20 · 20-39-37/39-26
WGK Germany: 1 · WGK 1
RTECS: 917500 · ZH0917500
Autoignition Temperature: 580 °C · 580°C
TSCA: TSCA listed
HS Code: 29141900 · 29141900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B
REACH Registrations: Active

Safety & regulation

Safety data

wgk: WGK 1
tsca: TSCA listed
rtecs: ZH0917500
hs_code: 29141900
risk_code: 22-36-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn
safety_code: 20-39-37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H317-H319-H410
REACH Registrations: Active
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B
Autoignition Temperature: 580°C
Precautionary statements: P261-P264-P273-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesCatalyst in synthesis of long-chain alcohols and aldehydes, textile weighting agent.

Upstream & downstream products

Upstream raw materials

Zinc, bis(phenylmethyl)-zinc:carbonate ZINC Diethylzinc

Suppliers112 total

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

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

3 records

New reaction record

HRID 443996As catalystuspto-grants-1981_04

HRID 538963As catalystuspto-grants-2014_10

HRID 1530170As reactantuspto-grants-2015_07

Compound notes

Loading…