Cas no 15877-57-3 (3-methylpentanal)
3-methylpentanal structure
Product Name:3-methylpentanal
3-methylpentanal Chemical and Physical Properties
Names and Identifiers
-
- Pentanal, 3-methyl-
- 3-methylpentanal
- (+-)-3-methyl-valeraldehyde
- 2-methylbutyraldehyde
- 3-Ethylbutanal
- 3-methyl-1-pentanal
- 3-methyl-pentanal
- Pentanal,3-methyl
- Valeraldehyde,3-methyl
- AKOS013286412
- Valeraldehyde, 3-methyl-
- NS00054038
- EINECS 240-014-6
- NSC-102764
- FT-0637291
- EN300-156186
- DTXSID70871249
- 2-bromo-2,4,4-trimethyl-5-octyne
- Q22131870
- SCHEMBL263198
- NSC 102764
- 3-Methylvaleraldehyde
- 15877-57-3
- C2H5CH(CH3)CH2CHO
- NSC102764
- DB-043399
- G82736
-
- Inchi： 1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
- InChI Key： YJWJGLQYQJGEEP-UHFFFAOYSA-N
- SMILES： O=CCC(C)CC
Computed Properties
- Exact Mass: 100.08900
- Monoisotopic Mass: 100.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 50.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1.5
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Color/Form: No data available
- Density: 0.8079 (estimate)
- Melting Point: -72.5°C (estimate)
- Boiling Point: 117.63°C (estimate)
- Flash Point: 17.8±5.4 °C
- Refractive Index: 1.4085 (estimate)
- PSA: 17.07000
- LogP: 1.62150
- Vapor Pressure: 13.6±0.2 mmHg at 25°C
3-methylpentanal 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：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-methylpentanal Customs Data
- HS CODE：2912190090
- Customs Data：
China Customs Code:
2912190090Overview:
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%
3-methylpentanal Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B488053-10mg |
3-methylpentanal |
15877-57-3 | 10mg |
$ 121.00 | 2023-09-08 | ||
| TRC | B488053-50mg |
3-methylpentanal |
15877-57-3 | 50mg |
$ 374.00 | 2023-09-08 | ||
| TRC | B488053-100mg |
3-methylpentanal |
15877-57-3 | 100mg |
$ 667.00 | 2023-09-08 | ||
| Enamine | EN300-156186-0.05g |
3-methylpentanal |
15877-57-3 | 80% | 0.05g |
$101.0 | 2023-06-05 | |
| Enamine | EN300-156186-0.1g |
3-methylpentanal |
15877-57-3 | 80% | 0.1g |
$152.0 | 2023-06-05 | |
| Enamine | EN300-156186-0.25g |
3-methylpentanal |
15877-57-3 | 80% | 0.25g |
$216.0 | 2023-06-05 | |
| Enamine | EN300-156186-0.5g |
3-methylpentanal |
15877-57-3 | 80% | 0.5g |
$407.0 | 2023-06-05 | |
| Enamine | EN300-156186-1.0g |
3-methylpentanal |
15877-57-3 | 80% | 1g |
$528.0 | 2023-06-05 | |
| Enamine | EN300-156186-2.5g |
3-methylpentanal |
15877-57-3 | 80% | 2.5g |
$1034.0 | 2023-06-05 | |
| Enamine | EN300-156186-5.0g |
3-methylpentanal |
15877-57-3 | 80% | 5g |
$1530.0 | 2023-06-05 |
3-methylpentanal Related Literature
-
Arno Behr,Sebastian Reyer,Nils Tenhumberg Dalton Trans. 2011 40 11742
-
2. Kinetics and mechanisms of the decompositions of the molecular ions of pentanal and its monomethyl-substituted homologues in the picosecond to microsecond time interval following field ionizationRoger P. Morgan,Peter J. Derrick,Alexander G. Loudon J. Chem. Soc. Perkin Trans. 2 1980 306
-
3. Kinetics and mechanisms of unimolecular gas-phase γ-hydrogen rearrangements of aliphatic aldehydes at times of the order of 10 picoseconds and longer following field ionisationRoger P. Morgan,Peter J. Derrick J. Chem. Soc. Chem. Commun. 1974 836
-
Barbara D'Anna,?yvind Andresen,Ziv Gefen,Claus J. Nielsen Phys. Chem. Chem. Phys. 2001 3 3057
-
Yu-Xia Li,Qi-Qiang Wang,Luo Yang Org. Biomol. Chem. 2017 15 1338
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