Cas no 149-31-5 (2-methylpentane-1,3-diol)
2-methylpentane-1,3-diol structure
Product Name:2-methylpentane-1,3-diol
CAS No:149-31-5
MF:C6H14O2
MW:118.174162387848
MDL:MFCD01740992
CID:148742
PubChem ID:61099
Update Time:2025-04-19
2-methylpentane-1,3-diol Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Pentanediol,2-methyl-
- 2-Methyl-1,3-pentanediol
- NSC 1251
- 2-METHYLPENTANE-1,3-DIOL
- 1,3-Pentanediol, 2-methyl-
- AKOS006279043
- 1,3-Butanediol, 2,4-dimethyl-
- EN300-298644
- 2,4-Dimethylbutanediol-1,3
- DTXSID6044149
- 149-31-5
- 2,4-Dimethyl-1,3-butanediol
- NSC1251
- UNII-4R3VO25NGR
- 4R3VO25NGR
- NIOSH/EK1710000
- EK17100000
- SPXWGAHNKXLXAP-UHFFFAOYSA-N
- NS00006069
- SCHEMBL186534
- AI3-00937
- 2,4-Dimethylbutanediol-1,3 [German]
- NSC-1251
- DB-240262
- G51997
- 2-methylpentane-1,3-diol
-
- MDL： MFCD01740992
- Inchi： 1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3
- InChI Key： SPXWGAHNKXLXAP-UHFFFAOYSA-N
- SMILES： OC(CC)C(C)CO
Computed Properties
- Exact Mass: 118.09942
- Monoisotopic Mass: 118.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 54.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.6
- Topological Polar Surface Area: 40.5A^2
Experimental Properties
- Density: 0.9737 g/cm3 (22 oC)
- Melting Point: -30°C
- Boiling Point: 214-215 oC (700 Torr)
- Flash Point: 108.5±7.2 oC,
- Refractive Index: 1.4486 (22 oC)
- Solubility: Dissolution (50 g/l) (25 o C),
- PSA: 40.46
- LogP: 0.38570
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
2-methylpentane-1,3-diol Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-methylpentane-1,3-diol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B487583-10mg |
2-methylpentane-1,3-diol |
149-31-5 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B487583-50mg |
2-methylpentane-1,3-diol |
149-31-5 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B487583-100mg |
2-Methylpentane-1,3-diol |
149-31-5 | 100mg |
$ 800.00 | 2023-09-08 | ||
| Enamine | EN300-298644-0.05g |
2-methylpentane-1,3-diol |
149-31-5 | 95.0% | 0.05g |
$118.0 | 2025-03-19 | |
| Enamine | EN300-298644-0.1g |
2-methylpentane-1,3-diol |
149-31-5 | 95.0% | 0.1g |
$176.0 | 2025-03-19 | |
| Enamine | EN300-298644-0.25g |
2-methylpentane-1,3-diol |
149-31-5 | 95.0% | 0.25g |
$252.0 | 2025-03-19 | |
| Enamine | EN300-298644-0.5g |
2-methylpentane-1,3-diol |
149-31-5 | 95.0% | 0.5g |
$457.0 | 2025-03-19 | |
| Enamine | EN300-298644-1.0g |
2-methylpentane-1,3-diol |
149-31-5 | 95.0% | 1.0g |
$584.0 | 2025-03-19 | |
| Enamine | EN300-298644-2.5g |
2-methylpentane-1,3-diol |
149-31-5 | 95.0% | 2.5g |
$1147.0 | 2025-03-19 | |
| Enamine | EN300-298644-5.0g |
2-methylpentane-1,3-diol |
149-31-5 | 95.0% | 5.0g |
$1695.0 | 2025-03-19 |
2-methylpentane-1,3-diol Related Literature
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Yiwen Cao,Shenjie Zhu,Lin Zhang,Qun Cui,Haiyan Wang Anal. Methods 2021 13 2989
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Seiji Aratake,Takahiko Itoh,Tsubasa Okano,Takahiro Usui,Mitsuru Shoji,Yujiro Hayashi Chem. Commun. 2007 2524
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3. A total synthesis of the unique tris-oxazole macrolide ulapualide A produced by the marine nudibranch Hexabranchus sanguineusShital K. Chattopadhyay,Gerald Pattenden J. Chem. Soc. Perkin Trans. 1 2000 2429
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4. 520. Reactions of orthoesters of germanium. Part II. Reactions of tetraethoxygermanium with glycolsR. C. Mehrotra,G. Chandra J. Chem. Soc. 1963 2804
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5. Scandium and yttrium complexes of the diamide–diamine donor ligand (2-C5H4N)CH2N(CH2CH2NSiMe3)2: chloride, primary and secondary amide, benzamidinate and alkyl functionalised derivativesMichael E. G. Skinner,Philip Mountford J. Chem. Soc. Dalton Trans. 2002 1694
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