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Trimethylacetaldehyde | 630-19-3

Product name:Trimethylacetaldehyde

CAS No:630-19-3
MF:C5H10O
MW:86.1323
MDL:MFCD00006962
CID:39284
PubChem ID:24887363
Introduction
Trimethylacetaldehyde is a high polymer chemical raw material< Br>
Names and Identifiers
  • Trimethylacetaldehyde
  • 2,2-Dimethyl-1-propanal
  • 2,2-Dimethylpropanal
  • Pivalaldehyde
  • Pivaldehyde
  • Especially amyl aldehyde
  • 2,2-Dimethylpropionaldehyde
  • trirnethylacetaldehyde
  • tert-C4H9CHO
  • PIVALALDEHYDE
  • P0847
  • Q2097441
  • tert-Valeraldehyde
  • 630-19-3
  • F2191-0164
  • Pvalaldehyde
  • alpha,alpha-Dimethylpropanal
  • UNII-SSC20260QW
  • NSC22043
  • STR05593
  • NEOPENTALDEHYDE
  • Pivalic aldehyde
  • D78124
  • NSC-22043
  • pivalaldeyde
  • PIVALALDEHYDE [MI]
  • InChI=1/C5H10O/c1-5(2,3)4-6/h4H,1-3H
  • tert-pentanal
  • J-523980
  • A834155
  • trimethyl-acetaldehyde
  • Propanal, 2,2-dimethyl-
  • MFCD00006962
  • trimethylacetoaldehyde
  • NSC 22043
  • AI3-33229
  • 2,2-dimethyl-propionaldehyde
  • CHEBI:141557
  • NS00035256
  • AKOS009143619
  • EN300-53815
  • TRIETHYLACETALDEHYDE
  • Trimethylacetaldehyde, 96%
  • .alpha.,.alpha.-Dimethylpropanal
  • Trimethylacetaldehyde (Pivaldehyde)
  • alpha,alpha-Dimethylpropionaldehyde
  • BCP24105
  • AMY14201
  • SSC20260QW
  • .alpha.,.alpha.-Dimethylpropionaldehyde
  • Trimethyl acetaldehyde
  • EINECS 211-134-6
  • DTXSID2060888
  • Neopentanal
  • MDL:MFCD00006962
  • InChIKey:FJJYHTVHBVXEEQ-UHFFFAOYSA-N
  • Inchi:1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
  • SMILES:CC(C)(C)C=O
  • BRN:506060
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 86.07320
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 86.073
  • Heavy Atom Count: 6
  • Complexity: 49.4
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 1.1
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • LogP: 1.23140
  • PSA: 17.07000
  • Refractive Index: n20/D 1.378(lit.)
  • Water Partition Coefficient: Negligible
  • Boiling Point: 75°C
  • Melting Point: 6 °C (lit.)
  • Flash Point: Fahrenheit: 3.2 ° f
    Celsius: -16 ° c
  • Color/Form: White liquid.
  • Solubility: Insoluble in water.
  • Sensitiveness: Air Sensitive
  • Density: 0.793 g/mL at 25 °C(lit.)
Security Information
  • Symbol: GHS02 GHS07
  • WGK Germany:3
  • Safety Term:3
  • Safety Instruction:S16-S23
  • Packing Group:III
  • Packing Group:III
  • Risk Phrases:R11
  • Hazard Level:3
  • Tehlikeli mal işareti: F F
  • Hazardous Material transportation number:UN 1989 3/PG 2
  • Hazard Statement:H225,H315,H335
  • Warning Statement:P210,P261
  • Prompt:dangerous
  • Storage Condition:0-10°C
  • PackingGroup:II
  • Hazard Category Code:11-37/38
  • Signal Word:Danger
  • TSCA:Yes
  • HazardClass:3
  • FLUKA BRAND F CODES:8
Customs Data
  • HS CODE:2912190090
  • Customs Data:

    China Customs Code:

    2912190090

    Overview:

    HS: 2912190090. Other acyclic aldehydes(No other oxygen-containing groups). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912190090 acyclic aldehydes without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Catalysts: Davicat SiAl 3113 Solvents: Water ;  36 bar, 300 °C
Reference
Processes for conversion of biologically derived mevalonic acid
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