Cas no 557-00-6 (propyl isovalerate)

propyl isovalerate structure
propyl isovalerate structure
Product Name:propyl isovalerate
CAS No:557-00-6
MF:C8H16O2
MW:144.211442947388
MDL:MFCD00048695
CID:38335
Update Time:2025-04-18

propyl isovalerate Chemical and Physical Properties

Names and Identifiers

    • propyl isovalerate
    • propyl 3-methylbutanoate
    • 3-methyl-butanoic acid,propyl ester
    • Butanoic acid,3-methyl-,propyl ester
    • EINECS 209-148-2
    • FEMA No. 2960
    • Isovaleriansaeure-propylester
    • Isovaleric acid,propyl ester
    • Propyl 3-methylbutyrate
    • Propyl isopentanoate
    • propyl iso-valerianate
    • MDL: MFCD00048695
    • Inchi: 1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
    • InChI Key: LSJMDWFAADPNAX-UHFFFAOYSA-N
    • SMILES: CCCOC(CC(C)C)=O

Computed Properties

  • Exact Mass: 144.11500
  • Monoisotopic Mass: 144.11503
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 97.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Colorless liquid with sweet fruit aroma
  • Density: 0.862?g/mL?at 20?°C(lit.)
  • Melting Point: -63.35°C (estimate)
  • Boiling Point: 155.8°C
  • Flash Point: 44?°C
  • Refractive Index: n20/D 1.403
  • PSA: 26.30000
  • LogP: 1.98570
  • FEMA: 2960 | PROPYL ISOVALERATE

propyl isovalerate Security Information

  • Hazardous Material transportation number:UN 3272 3/PG 3
  • WGK Germany:2
  • Hazard Category Code: 10
  • Safety Instruction: S16
  • RTECS:NY1512000
  • Storage Condition:Limit shelf life. Check the date on the label
  • Risk Phrases:R10

propyl isovalerate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
D303979-100ml
propyl isovalerate
557-00-6 ≥97%
100ml
¥395.90 2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
D303979-25ml
propyl isovalerate
557-00-6 ≥97%
25ml
¥146.90 2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
D303979-5ml
propyl isovalerate
557-00-6 ≥97%
5ml
¥39.90 2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
D303979-500ml
propyl isovalerate
557-00-6 ≥97%
500ml
¥1472.90 2023-09-03
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
D851128-500ml
Propyl Isovalerate
557-00-6 ≥97%
500ml
1,899.00 2021-05-17
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W296000-SAMPLE-K
propyl isovalerate
557-00-6 natural (US), ≥98%, FG
587.6 2021-05-17
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W296000-100G-K
propyl isovalerate
557-00-6 natural (US), ≥98%, FG
100G
1132.57 2021-05-17
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W296000-500G-K
propyl isovalerate
557-00-6 natural (US), ≥98%, FG
500G
3441 2021-05-17
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W296000-1KG-K
propyl isovalerate
557-00-6 natural (US), ≥98%, FG
1KG
4985.37 2021-05-17
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W296000-10KG-K
propyl isovalerate
557-00-6 natural (US), ≥98%, FG
10KG
40032.68 2021-05-17

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