Cas no 58368-67-5 (3-Pentyl formate)
3-Pentyl formate structure
Product Name:3-Pentyl formate
CAS No:58368-67-5
MF:C6H12O2
MW:116.158282279968
CID:89983
PubChem ID:13878880
Update Time:2025-04-18
3-Pentyl formate Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentyl formate
- pentan-3-yl formate
- 3-AMYL FORMATE
- Ameisensaeure-(1-aethyl-propylester)
- formic acid-(1-ethyl-propyl ester)
- tert-Amylformat
- SCHEMBL102902
- DTXSID20551741
- AKOS030227967
- Formic acid 3-pentyl ester
- 3-Amylformate
- 58368-67-5
-
- MDL： MFCD00049220
- Inchi： 1S/C6H12O2/c1-3-6(4-2)8-5-7/h5-6H,3-4H2,1-2H3
- InChI Key： YMJOAYHERILFIM-UHFFFAOYSA-N
- SMILES： O(C=O)C(CC)CC
Computed Properties
- Exact Mass: 116.08400
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 57.5
- 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
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Color/Form: liquid
- Density: 0.873
- Melting Point: -83.5°C (estimate)
- Boiling Point: 116-118°C
- Flash Point: 116-118°C
- Refractive Index: 1.3917 (estimate)
- PSA: 26.30000
- LogP: 1.98390
- Solubility: Not determined
3-Pentyl formate Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：UN3272
- Safety Instruction： H303+H313+H333
- HazardClass：3
- PackingGroup：III
- TSCA：Yes
- Packing Group：III
- Safety Term：3
- Packing Group：III
- Hazard Level：3
- Storage Condition：Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
3-Pentyl formate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-276387-5g |
3-Pentyl formate, |
58368-67-5 | 5g |
￥933.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-276387-5 g |
3-Pentyl formate, |
58368-67-5 | 5g |
￥933.00 | 2023-07-11 |
3-Pentyl formate Related Literature
-
1. Dielectric study of esters in benzene: internal rotation and molecular configurationBal Krishna,S. V. Mahadane,Bhartendu Prakash J. Chem. Soc. B 1970 954
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