Cas no 50468-22-9 (3-methylbutane-1,2-diol)
3-methylbutane-1,2-diol structure
Product Name:3-methylbutane-1,2-diol
CAS No:50468-22-9
MF:C5H12O2
MW:104.147582054138
CID:374563
PubChem ID:521280
Update Time:2025-04-19
3-methylbutane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Butanediol,3-methyl-
- 3-methylbutane-1,2-diol
- 1,2-Butanediol,3-methyl
- 1,2-dihydroxy-3-methylbutane
- 2-methyl-3,4-butanediol
- 3-methyl-1,2-butanediol
- 3-methyl-1,2-dihydroxybutane
- 3-methyl-butane-1,2-diol
- 3-methylbutane-diol-1,2
- EINECS 256-597-5
- isopentyldiol
- Q27133612
- SKK32A493R
- EN300-269864
- Isopropylglykol
- 1,2-Butanediol, 3-methyl-
- NS00013783
- 50468-22-9
- DTXSID40871392
- UNII-SKK32A493R
- (+/-)-3-METHYLBUTANE-1,2-DIOL
- AKOS021022308
- SCHEMBL60554
- CHEBI:65058
- 3-METHYLBUTANE-1,2-DIOL, (+/-)-
- HJJZIMFAIMUSBW-UHFFFAOYSA-N
- G90195
-
- Inchi： 1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3
- InChI Key： HJJZIMFAIMUSBW-UHFFFAOYSA-N
- SMILES： OC(CO)C(C)C
Computed Properties
- Exact Mass: 104.08400
- Monoisotopic Mass: 104.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 43.3
- 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
- Topological Polar Surface Area: 40.5
- XLogP3: 0.3
Experimental Properties
- Density: 0.9987
- Melting Point: 50.86°C (estimate)
- Boiling Point: 209.24°C (rough estimate)
- Flash Point: 90.4°C
- Refractive Index: 1.4430
- PSA: 40.46000
- LogP: -0.00440
3-methylbutane-1,2-diol Customs Data
- HS CODE：2905399090
- Customs Data：
China Customs Code:
2905399090Overview:
2905399090 Other diols.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2905399090 other diols.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
3-methylbutane-1,2-diol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M294993-10mg |
3-methylbutane-1,2-diol |
50468-22-9 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M294993-50mg |
3-methylbutane-1,2-diol |
50468-22-9 | 50mg |
$ 160.00 | 2022-06-04 | ||
| TRC | M294993-100mg |
3-methylbutane-1,2-diol |
50468-22-9 | 100mg |
$ 230.00 | 2022-06-04 | ||
| Enamine | EN300-269864-0.05g |
3-methylbutane-1,2-diol |
50468-22-9 | 95.0% | 0.05g |
$101.0 | 2025-03-20 | |
| Enamine | EN300-269864-0.1g |
3-methylbutane-1,2-diol |
50468-22-9 | 95.0% | 0.1g |
$152.0 | 2025-03-20 | |
| Enamine | EN300-269864-0.25g |
3-methylbutane-1,2-diol |
50468-22-9 | 95.0% | 0.25g |
$216.0 | 2025-03-20 | |
| Enamine | EN300-269864-0.5g |
3-methylbutane-1,2-diol |
50468-22-9 | 95.0% | 0.5g |
$407.0 | 2025-03-20 | |
| Enamine | EN300-269864-1.0g |
3-methylbutane-1,2-diol |
50468-22-9 | 95.0% | 1.0g |
$528.0 | 2025-03-20 | |
| Enamine | EN300-269864-2.5g |
3-methylbutane-1,2-diol |
50468-22-9 | 95.0% | 2.5g |
$1034.0 | 2025-03-20 | |
| Enamine | EN300-269864-5.0g |
3-methylbutane-1,2-diol |
50468-22-9 | 95.0% | 5.0g |
$1530.0 | 2025-03-20 |
3-methylbutane-1,2-diol Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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