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1,2,4-Butanetriol, (2S)-

HCID 640997
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
42890-76-6
Standard SMILES
OCC[C@H](O)CO
InChIKey
ARXKVVRQIIOZGF-BYPYZUCNSA-N
Molecular formula
C4H10O3
Average molar mass
106.12 g/mol
Monoisotopic mass
106.06299418

Overview

2-deoxyerythritol is a secondary alcohol.

Names & identifiers

Preferred name
1,2,4-Butanetriol, (2S)-
IUPAC
(2S)-butane-1,2,4-triol
English name
(S)-1,2,4-Butanetriol
Molecular formula
C4H10O3
Molecular weight
106.12

Names & synonyms

42890-76-6(S)-1,2,4-Butanetriol(2S)-butane-1,2,4-triol(-)-1,2,4-Butanetriol1,2,4-Butanetriol, (S)-1,2,4-Butanetriol, (2S)-(-)-(S)-1,2,4-Butanetriol03V2R7Y196RefChem:410958(S)-(-)-1,2,4-Butanetriol(S)-Butane-1,2,4-triol(s)-(-)-butane-1,2,4-triol
Show more names
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholineSLP711122816:0-i15:0 PColeic acid-d9Trans-FAAzo-41,3-DidecanoinGirard Reagent
MFCD00063213UNII-03V2R7Y196(2~{S})-butane-1,2,4-triolC4H10O3(2s)-1,2,4-butanetriol(S)?-?(-?)?-?1,?2,?4-?Butanetriol(2S)-(-)-Butane-1,2,4-triol(S)-1,2,4-butanentriol

Database identifiers

CAS
42890-76-6
PubChem CID
640997
DTXSID
DTXSID201361097
ChEBI
CHEBI:140438
UNII
03V2R7Y196
EC Number
610-080-4
Nikkaji
J181.757D

Properties

Computed structural properties

XLogP
-1.4
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
7
Formal charge
0
Complexity
37.9

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point
150 °C0.04 · 150 °C0.04 mm Hg(lit.)
alpha
-30 · -30 º (c=1, MeOH)
Density
1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.475(lit.)
Flash point
110 °C · >110°C
storage temp.
Inert atmosphere,Room Temperature
solubility
Chloroform (Slightly), Methanol (Sparingly), Water (Slightly)
form
Oil
pka
14.02 · 14.02±0.20(Predicted)
color
Colourless
Specific Gravity
1.19 · 1.190
Appearance
Solid Powder
optical activity
19 · [α]19/D 28±2, c = 1 in methanol
Water Solubility
soluble
Sensitive
Hygroscopic
BRN
1719408 · 1719408
Stability
Hygroscopic
Major Application
petroleum
InChI
1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
InChIKey
ARXKVVRQIIOZGF-BYPYZUCNSA-N
SMILES
O[C@H](CO)CCO
CAS DataBase Reference
42890 · 42890-76-6(CAS DataBase Reference)
FDA UNII
3 V2R7Y196 · 03V2R7Y196
UNSPSC Code
51191904 · 51191904
NACRES
28 · NA.28
Symbol(GHS)
6 · GHS06,GHS08
Signal word
Danger
Hazard statements
302 · H302-H315-H319-H331-H336-H351-H361d-H372
Precautionary statements
201 · P201-P301+P312+P330-P302+P352-P304+P340+P311-P305+P351+P338-P308+P313
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
F,Xn
Risk Statements
36 · 36/37/38-41-20/21/22-11
Safety Statements
23 · 23-24/25-39-26-16-36/37-28-33-29-9
RIDADR
3316 · UN 3316 9/PG 2
WGK Germany
3 · 3
F
3 · 3-10-21
HS Code
2905490090 · 2905490090
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
REACH Registrations
Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

Safety data

F
3-10-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3316 9/PG 2
hs_code
2905490090
risk_code
36/37/38-41-20/21/22-11
Signal word
Danger
Symbol(GHS)
GHS06,GHS08
hazard_code
F,Xn
safety_code
23-24/25-39-26-16-36/37-28-33-29-9
Storage Class
3 - Flammable liquids
Hazard statements
H302-H315-H319-H331-H336-H351-H361d-H372
REACH Registrations
Active
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
Precautionary statements
P201-P301+P312+P330-P302+P352-P304+P340+P311-P305+P351+P338-P308+P313

Chemistry & industry

Applications · 3 items

Description(S)-(-)-1,2,4-Butanetriol can be prepared via reduction of (S)-malic acid in the presence of borane-dimethyl sulfide. (S)-(-)-1,2,4-Butanetriol may be used as a starting material in the enantioselective total syntheses of (+)-azimine and (+)-carpaine. It can also be used to prepare the organic building blocks (+)-3,4-epoxy-1-butanol, (2S,4S)-4-(hydroxymethyl)-2-ferrocenyl-1,3-dioxan, (S)-1,2,4-triacetoxybutane via acetylation with acetic anhydride, and (S)-1,2,4-tris-(3,5-dinitrobenzoy1oxy)butane via esterification with 3,5-dinitrobenzoyl chloride, and so on.

Descriptionβ-Py-C10-HPC is a violet-fluorescent analog of phosphocholine with the fluorophore on the lipophilic sn-2 acyl chain and a phosphocholine headgroup, and it is used to study the mechanism of spontaneous phospholipid transfer between single-walled phospholi

UsesGlycerophospholipids act as regulators of various enzyme activities, and can be used as biological markers to indicate pathological states.

Upstream & downstream products

Upstream raw materials

2-Butanol, 1,4-bis(phenylmethoxy)-, (2S)-Dimethyl malate

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
青岛莫弗科技有限公司0532-80992198-0 15063917718 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海格物致知医药科技有限公司21-21-54301573 13917723525 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
天长市淳峰精细材料合成厂0550-7039583 0550-7552998 13905508100;13905508100 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海毕楷科技有限公司18516304666
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
上海和宁美生物医药科技有限公司021-18019086215 18019086215 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
湖北德丽医药科技有限公司13372285931 19237964946 · [email protected]
上海元符医药科技有限公司+86 (21) 5471-7132
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海双福生物科技有限公司+86-021-58380978 13482386415 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
天津津艺医药科技发展有限责任公司185-11025967 18511025967
九鼎化学(上海)科技有限公司4009209199 · [email protected]

Additional notes

DefinitionChEBI: 2-deoxyerythritol is a secondary alcohol.

Related reactions

10 records
New reaction record
HRID 31695 reaction equation
HRID 31695As reactantuspto-grants-2008_09
HRID 1022962 reaction equation
HRID 1022962As reactantuspto-grants-2014_05
HRID 1052214 reaction equation
HRID 1052214As reactantuspto-grants-2016_07
HRID 1166048 reaction equation
HRID 1166048As reactantuspto-grants-2003_09
HRID 1168046 reaction equation
HRID 1168046As reactantuspto-grants-2003_09
HRID 1409065 reaction equation
HRID 1409065As reactantuspto-grants-2014_12
HRID 1426470 reaction equation
HRID 1426470As reactantuspto-grants-2015_01
HRID 1645640 reaction equation
HRID 1645640As reactantuspto-grants-2012_02
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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes