CAS 464-06-2|2,2,3-TRIMETHYLBUTANE|2,2,3-trimethylbutane|triptan|Triptane|triptane|五甲基乙烷|2,2,3-三甲基丁烷|Triptane|2,2,3-Trimethylbutane|Pentamethylethane|三甲基丁烷

Molecular Formula

C₇H₁₆

Molecular Mass

100.20194

Exact Mass

100.12520051

InChI

InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3

InChIKey

ZISSAWUMDACLOM-UHFFFAOYSA-N

Canonic Smiles

CC(C(C)(C)C)C

Isomeric Smiles

CC(C)C(C)(C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1160858

LogD (pH = 7.4)

3.1160858

Log P

3.1160858

Molar Refractivity

33.7785

Polarizability

13.67605

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Synonyms

2,2,3-TRIMETHYLBUTANETriptane五甲基乙烷TriptanePentamethylethane2,2,3-Trimethylbutane2,2,3-三甲基丁烷三甲基丁烷

IUPAC name

2,2,3-trimethylbutane

IUPAC Traditional name

triptan triptane

Wikipedia Title

Beilstein Number

MDL Number

MSDS Link

European Hazard Symbols

Flammable (F)

Nature polluting (N)

Harmful (Xn)

Risk Statements

R:18

R11,R38,R50/53,R65,R67

11-38-50/53-65-67

Safety Statements

S:29

S2,S16,S29,S33

9-16-29-33-60-61-62

EU Index

601-008-00-2

GHS Pictograms

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

UN Number

1206

GHS Signal Word

DANGER

Danger

Explode Limits

1–7%

~7 %

NFPA704

GHS Hazard statements

225,304,315,336,400

H225-H304-H315-H336-H400

H225-H304-H315-H336-H410

GHS Precautionary statements

210,261,273,301+310,331

P210-P261-P273-P301+P310-P331

P210-P261-P273-P301+P310-P331-P501

RID/ADR

UN 1206 3/PG 2

German water hazard class

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Class

Packing Group

Product Information

Physical Property

No Data Available

Click here to submit data

No Data Available

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MP Biomedicals

05219417

MP Biomedicals Rare Chemical collection

Sigma Aldrich

132187

Packaging
1, 5 g in ampule

No Data Available

Click here to submit data

Synonyms

2,2,3-TRIMETHYLBUTANETriptane五甲基乙烷TriptanePentamethylethane2,2,3-Trimethylbutane2,2,3-三甲基丁烷三甲基丁烷

IUPAC name

2,2,3-trimethylbutane

IUPAC Traditional name

triptan triptane

Wikipedia Title

Beilstein Number

MDL Number

MP Biomedicals Rare Chemical collection

Sigma Aldrich

132187

Packaging
1, 5 g in ampule

No Data Available

Click here to submit data

Safety Information

Product Information

Physical Property

Molecule

ID:111475