Basic information
- CAS
516-06-3- Standard SMILES
CC(C)[C@H](N)C(=O)O- InChIKey
KZSNJWFQEVHDMF-BYPYZUCNSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Names & identifiers
- Preferred name
- L-Valine
- IUPAC
- (2S)-2-amino-3-methylbutanoic acid
- English name
- DL-Valine
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15
Names & synonyms
L-valinevaline72-18-4(S)-Valine(2S)-2-amino-3-methylbutanoic acid(S)-2-Amino-3-methylbutanoic acid2-Amino-3-methylbutyric acid(S)-2-Amino-3-methylbutyric acidvalinaL-alpha-Amino-beta-methylbutyric acidL-valinValinum
Show more names
ValDL-VALFEMA 3444H-DL-VAL-OHNSC 9755DL-Val-OHDL-VALINEValine, DL-(RS)-ValineAKOS 237-133
(S)-alpha-Amino-beta-methylbutyric acidNSC-76038l-(+)-alpha-Aminoisovaleric acidHG18B9YRS7CHEBI:16414DTXSID40883233L-Val2-amino-3-methylbutanoate
Database identifiers
- CAS
516-06-3、72-18-4- PubChem CID
- 6287
- DTXSID
DTXSID40883233- ChEMBL
CHEMBL43068- ChEBI
CHEBI:16414- UNII
- HG18B9YRS7
- EC Number
- 200-773-6
- Nikkaji
- J9.179K
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90
Physicochemical properties
- Melting point
- 295 °C · 295 °C (dec.) (lit.)
- Boiling point
- 213.6 · 213.6±23.0 °C(Predicted)
- alpha
- -0.6 · -0.6~+0.6° (20℃/D)(c=8, HCl)
- Density
- 1.31 · 1.31
- refractive index
- 1.465 · 1.4650 (estimate)
- FLAVIS Number
- 17.023 · 17.023 | D,L-Valine
- FEMA
- 3444 · 3444 | D,L-VALINE
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Water (Slightly, Sonicated)
- pka
- 1 · pK1:2.32(+1);pK2:9.61(0) (25°C)
- form
- Crystalline Powder
- color
- White
- Odor
- Odorless
- Odor Type
- odorless
- biological source
- synthetic
- Water Solubility
- 68 g/L · 68 g/L
- Merck
- 14 · 14,9909
- JECFA Number
- 1426 · 1426
- BRN
- 506689 · 506689
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGFRAGRANCEANTISTATICHAIR CONDITIONING
- InChI
- 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
- InChIKey
- KZSNJWFQEVHDMF-UHFFFAOYSA-N
- SMILES
- CC(C)C(N)C(O)=O
- LogP
- 0.29 · 0.29
- CAS DataBase Reference
- 516 · 516-06-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- DL-VALINE
- FDA UNII
- 4 CA13A832H · 4CA13A832H
- NIST Chemistry Reference
- DL-Valine(516-06-3)
- EPA Substance Registry System
- Valine (516-06-3)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 22 · 22-24/25-36
- WGK Germany
- 3 · 3
- RTECS
- 9355500 · YV9355500
- TSCA
- TSCA listed
- HS Code
- 29224995 · 29224995
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YV9355500
- hs_code
- 29224995
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
OccurrenceReported found in many fruits, plants and animal tissues; in milk and dairy products.
Usespeptide synthesis
Preparation methods
PreparationBy the action of ammonia on α-bromoisovaleric acid; also through a hydantoin intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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孝感深远化工有限公司15527621225; 15527621225 · [email protected]
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玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
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TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
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北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
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广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
Additional notes
DefinitionChEBI: A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.
Related reactions
264 records
Compound notes
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