C22H40O5Ti

HCID 175687739

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Basic information

CAS: 152248-67-4
Standard SMILES: CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.O.[Ti]
InChIKey: GMHOZUOLHSXCEJ-ZJCTYWPYSA-N
Molecular formula: C22H42O5Ti
Average molar mass: 434.4 g/mol
Monoisotopic mass: 434.2511651

Names & identifiers

Preferred name: C22H40O5Ti
IUPAC: bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);titanium;hydrate
English name: Titanium oxide bis(tetramethylheptanedionate)
Molecular formula: C22H38O5Ti
Molecular weight: 430.4

Names & synonyms

152248-67-4C22H40O5TiMFCD00269847(Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one;oxotitaniumOTI(TMHD)2-3,5-heptanedionato)oxotitanium(IV)ITANIUM OXIDE BIS(TETRAMETHYLHEPTANEDIONATE)Titanium oxide bis(tetramethylheptanedionate)Titanium oxide bis(tetramethylheptanedianoate)BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)OXOTITANIUMOxobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)TITANIUM OXIDE BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)

Show more names

BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)OXOTITANIUM (IV)TITANIUM OXIDE BIS(TETRAMETHYLHEPTANEDIONATE) ISO 9001：2015 REACH

Database identifiers

CAS: 152248-67-4
PubChem CID: 175687739
EC Number: 695-601-3

Properties

Computed structural properties

Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 120 °C · 120°C (dec.)
form: Powder
color: off-white
Hydrolytic Sensitivity: 4 · 4: no reaction with water under neutral conditions
InChI: 1S/2C11H20O2.O.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7,12H,1-6H3;;/q;;;+2/p-2/b2*8-7-;;
InChIKey: LEHQDHQAPQKWNG-ZJCTYWPYSA-L
SMILES: CC(C)(C)C(=O)\C=C(/O[Ti](=O)O\C(=C/C(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C
UNSPSC Code: 12161600 · 12161600
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26

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 · 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 38 reports by companies from 1 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

wgk: 3
tsca: No
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesBis(2,2,6,6-tetramethyl-3,5-heptanediol)titanium oxide is mainly used as a metal catalyst.

Suppliers25 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

瑞果（苏州）新材料有限公司0512-87813132-801 13913535368 · [email protected]

Related reactions

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Compound notes

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