Basic information
- CAS
3417-91-2- Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl- InChIKey
VXYFARNRGZWHTJ-FVGYRXGTSA-N- Molecular formula
- C10H14ClNO3
- Average molar mass
- 231.67 g/mol
- Monoisotopic mass
- 231.066221
Names & identifiers
- Preferred name
- Methyl tyrosinate hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
- English name
- Methyl L-tyrosinate hydrochloride
- Molecular formula
- C10H14ClNO3
- Molecular weight
- 231.68
Names & synonyms
Methyl L-tyrosinate hydrochloridemethyl tyrosinate hydrochlorideL-Tyrosine, methyl ester, hydrochlorideEINECS 222-313-3L-Tyrosine, methyl ester, hydrochloride (1:1)W42M0MI271NSC 65609Tyrosine methylester hydrochloride, L-(S)-tyrosine methyl ester hydrochlorideMETHYL TYROSINATE HCLDTXSID20883973NSC-65609
Show more names
L-TYROSINE METHYL ESTER HCLTyr-OmeHClTyr.OCH3.HCLH-TYR-OME HCLH-Tyr-OMe·HCIL-Tyr-OMe.HCLH-L-TYR-OME HCLTYROSINE-OME HCL
TYROSINE, METHYL ESTER, HYDROCHLORIDE, L-(2s)-methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chlorideRefChem:818113DTXCID901023448METHYL TYROSINATE HCL [INCI]222-313-33417-91-2L-Tyrosine methyl ester hydrochloride
Database identifiers
- CAS
3417-91-2- PubChem CID
- 76956
- DTXSID
DTXSID20883973- ChEMBL
CHEMBL1221906- UNII
- W42M0MI271
- EC Number
- 222-313-3
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 192 °C · 192 °C (dec.)(lit.)
- alpha
- 74 · 74 º (c=3,1N pyridine)
- refractive index
- 13 ° · 13 ° (C=2, MeOH)
- storage temp.
- 2 · 2-8°C
- Water Solubility
- very faint turbidity in Water
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder to crystal
- color
- White to Almost white
- optical activity
- 25 · [α]25/D +74.0°, c = 3 in pyridine
- Sensitive
- Hygroscopic
- BRN
- 3917353 · 3917353
- Major Application
- peptide synthesis
- Cosmetics Ingredients Functions
- HAIR CONDITIONING
- InChI
- InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/s3
- InChIKey
- VXYFARNRGZWHTJ-OVMXBOEKNA-N
- SMILES
- C1(C=CC(O)=CC=1)C[C@H](N)C(=O)OC.Cl |&1:8,r|
- CAS DataBase Reference
- 3417 · 3417-91-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 42 M0MI271 · W42M0MI271
- EPA Substance Registry System
- L-Tyrosine, methyl ester, hydrochloride (3417-91-2)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29225000 · 29225000
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (3 of 83) of reports.
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 83 reports by companies.；There are 5 notifications provided by 80 of 83 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: L-Tyrosine, methyl ester, hydrochloride；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)；Eye Irrit. 2 (96.4%)；STOT SE 3 (95.2%)
Regulatory information
Regulatory Information
Chemical: L-Tyrosine, methyl ester, hydrochloride；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29225000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 6 consumer products that contain Methyl Tyrosinate Hcl in the following categories is provided:；• Personal Care
General Manufacturing InformationL-Tyrosine, methyl ester, hydrochloride (1:1): ACTIVE
Applications
Usespeptide synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
曲阜德禄生物科技有限公司13562421518
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
张家港市思普生化有限公司512-0512-58992291,58992287 18606280718 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
南京红杉生物科技有限公司158-05183379 15805183379 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [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]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
泰州天鸿生化科技有限公司0523-86132544 15366717810 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
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]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
四川安派博生物科技有限公司028-65294243 18682730901 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
42 records
Compound notes
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