H-Ile-ObzlTos

Modify Date: 2026-07-02 12:50:45

H-Ile-ObzlTos Structure
H-Ile-ObzlTos structure
Common Name H-Ile-ObzlTos
CAS Number 16652-75-8 Molecular Weight 393.497
Density N/A Boiling Point 545.1ºC at 760 mmHg
Molecular Formula C20H27NO5S Melting Point 153-155 °C
MSDS N/A Flash Point 283.4ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Boiling Point 545.1ºC at 760 mmHg
Melting Point 153-155 °C
Molecular Formula C20H27NO5S
Molecular Weight 393.497
Flash Point 283.4ºC
Exact Mass 393.160980
PSA 115.07000
LogP 5.12600
Vapour Pressure 1.03E-12mmHg at 25°C
InChIKey XAWVXTVKSVYPNE-JGAZGGJJSA-N
SMILES CCC(C)C(N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1
Storage condition Store at RT.

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: H-Ile-OBzl tos
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:H-Ile-OBzl tos
CAS number:16652-75-8

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C13H19NO2.C7H8O3S
Molecular weight:393.5

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
Risk Phrases 22-36/37/38
Safety Phrases 9-26-36/37
HS Code 2923900090

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  4

DownStream  0

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2923900090
Summary 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

EINECS 240-701-0
L-Isoleucin-benzylester-p-toluolsulfonat
H-ILE-OBZL P-TOSYLATE
L-isoleucine benzyl ester tosylate
L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
TsOH.L-Ile-OBn
Benzyl L-isoleucinate 4-methylbenzenesulfonate (1:1)
TosOH*Ile-OBzl
H-L-Ile-OBzl*Tos
MFCD00050511
L-isoleucine benzyl ester p-toluenesulfonate salt
H-Ile-Obzl Tos
isoleucine benzyl ester toluene-p-sulphonate
h-ile-obzl.tos
H-Ile-OBzl.TosOH
H-Ile-ObzlTos

 H-Ile-ObzlTos | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the safety information for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: Safety information for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid: 9-26-36/37.
Q: What is the English name of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: The English name of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid.
Q: What is the SMILES notation of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: SMILES notation of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is CCC(C)C(N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1.
Q: What are the storage conditions for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: Storage conditions for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid: Store at RT.
Q: What is the LogP of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: LogP of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 5.12600.
Q: What is the boiling point of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: Boiling point of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 545.1ºC at 760 mmHg.
Q: What is the molecular weight of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: Molecular weight of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 393.497.
Q: What are the upstream materials of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: Related upstream materials(CAS) of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid: 73-32-5;104-15-4;100-51-6;42406-72-4.
Q: What is the molecular formula of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: Molecular formula of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is C20H27NO5S.
Q: What is the polar surface area (PSA) of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid?
A: Polar surface area (PSA) of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 115.07000.

 H-Ile-ObzlTosfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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