6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester

Modify Date: 2024-01-02 11:37:04

6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester Structure
6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester structure
Common Name 6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester
CAS Number 51513-80-5 Molecular Weight 328.36100
Density 1.2g/cm3 Boiling Point N/A
Molecular Formula C15H24N2O6 Melting Point 86-90ºC
MSDS Chinese USA Flash Point N/A
Symbol GHS07
GHS07
Signal Word Warning

 Use of 6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester


6-(N-Boc)caproic acid NHS is a protein cross-linking agent.

 Names

Name t-Boc-aminocaproic-N-hydroxysuccinimide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2g/cm3
Melting Point 86-90ºC
Molecular Formula C15H24N2O6
Molecular Weight 328.36100
Exact Mass 328.16300
PSA 102.01000
LogP 2.00750
Index of Refraction 1.507
Water Solubility Very slightly soluble (0.95 g/L) (25 ºC)

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Boc-6-Ahx-OSu
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 51513-80-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi IrritantR38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
H315Causes skin irritation.
Precautionary statement(s)none
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Synonyms: 6-(Boc-amino)hexanoic acid N-succinimidyl ester
6-(Boc-amino)caproic acid N-succinimidyl ester
Formula: C15H24N2O6
Molecular Weight: 328,36 g/mol
CAS-No.: 51513-80-5
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
Boc-6-Ahx-OSu
CAS-No.51513-80-5Skin Irrit. 2; H315<= 100 %
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
Boc-6-Ahx-OSu
CAS-No.51513-80-5Xi, R38<= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: 2 - 8 °C
Keep in a dry place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: powder
Colour: white
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 86 - 90 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: 1,117
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. The
preceding data, or interpretation of data, was determined using Quantitative Structure Activity Relationship
(QSAR) modeling.
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi
Risk Phrases R38
Safety Phrases 36/37
RIDADR NONH for all modes of transport
HS Code 2925190090

 Synthetic Route

~93%

6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester Structure

6-[[(1,1-Dimeth...

CAS#:51513-80-5

Literature: Adamczyk, Maciej; Fishpaugh, Jeffrey R.; Heuser, Kevin J.; Ramp, John M.; Reddy, Rajarathnam E.; Wong, Martin Tetrahedron, 1998 , vol. 54, # 13 p. 3093 - 3112

~92%

6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester Structure

6-[[(1,1-Dimeth...

CAS#:51513-80-5

Literature: Tsuboi, Katsunori; Bachovchin, Daniel A.; Speers, Anna E.; Spicer, Timothy P.; Fernandez-Vega, Virneliz; Hodder, Peter; Rosen, Hugh; Cravatt, Benjamin F. Journal of the American Chemical Society, 2011 , vol. 133, # 41 p. 16605 - 16616

~%

6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester Structure

6-[[(1,1-Dimeth...

CAS#:51513-80-5

Literature: Mikhura, I. V.; Formanovskii, A. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 2 p. 205 - 212 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 2 p. 247 - 255

~%

6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester Structure

6-[[(1,1-Dimeth...

CAS#:51513-80-5

Literature: Gavande, Navnath; Kim, Hye-Lim; Doddareddy, Munikumar R.; Johnston, Graham A. R.; Chebib, Mary; Hanrahan, Jane R. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 4 p. 402 - 407

~%

6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester Structure

6-[[(1,1-Dimeth...

CAS#:51513-80-5

Literature: Doughty; Chaurasia; Li Journal of Medicinal Chemistry, 1993 , vol. 36, # 2 p. 272 - 279

~%

6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester Structure

6-[[(1,1-Dimeth...

CAS#:51513-80-5

Literature: Mikhura, I. V.; Formanovskii, A. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1992 , vol. 28, # 2 p. 205 - 212 Khimiya Geterotsiklicheskikh Soedinenii, 1992 , # 2 p. 247 - 255

 Customs

HS Code 2925190090
Summary 2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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 Synonyms

(2,5-dioxopyrrolidin-1-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Boc-6-Ahx-OSu
6-(Boc-amino)caproic acid N-succinimidyl ester (6-(Boc-amino)hexanoic acid N-succinimidyl ester
6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester
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