Introduction:Basic information about CAS 96-27-5|3-Mercaptopropane-1,2-diol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Mercaptopropane-1,2-diol |
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| CAS Number | 96-27-5 | Molecular Weight | 108.159 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 247.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C3H8O2S | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 126.3±24.6 °C |
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| Symbol | GHS06 | Signal Word | Danger |
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Names
| Name | monothioglycerol |
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| Synonym | More Synonyms |
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3-Mercaptopropane-1,2-diol BiologicalActivity
| Description | 1-Thioglycerol is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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| Related Catalog | Research Areas >>Others |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 247.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C3H8O2S |
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| Molecular Weight | 108.159 |
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| Flash Point | 126.3±24.6 °C |
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| Exact Mass | 108.024498 |
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| PSA | 79.26000 |
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| LogP | -0.92 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.526 |
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| InChIKey | PJUIMOJAAPLTRJ-UHFFFAOYSA-N |
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| SMILES | OCC(O)CS |
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| Storage condition | 2-8°C |
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| Water Solubility | slightly soluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TY8140000
- CHEMICAL NAME :
- 1,2-Propanediol, 3-mercapto-
- CAS REGISTRY NUMBER :
- 96-27-5
- BEILSTEIN REFERENCE NO. :
- 1732046
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C3-H8-O2-S
- MOLECULAR WEIGHT :
- 108.17
- WISWESSER LINE NOTATION :
- SH1YQ1Q
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 390 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 340 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 220 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 12 gm/kg/4W-I
- TOXIC EFFECTS :
- Endocrine - changes in thyroid weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 1925 mg/kg
- SEX/DURATION :
- male 35 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
MUTATION DATA - TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 2000 ppm
- REFERENCE :
- AMACCQ Antimicrobial Agents and Chemotherapy. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.1- 1972- Volume(issue)/page/year: 19,556,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83967 No. of Facilities: 213 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 1912 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83967 No. of Facilities: 1464 (estimated) No. of Industries: 20 No. of Occupations: 24 No. of Employees: 16561 (estimated) No. of Female Employees: 6744 (estimated)
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Safety Information
| Symbol | GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H302-H311-H315-H319-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338-P312 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36-S23 |
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| RIDADR | UN 2810 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | TY8140000 |
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| Hazard Class | 6.1 |
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| HS Code | 29309070 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| a-Thioglycerin |
| Glycerol, 1-thio- |
| EINECS 202-495-0 |
| 1-Mercapto-2,3-propanediol |
| 1-Monothioglycerol |
| Thioglycerol |
| MFCD00004879 |
| 3-Sulfanyl-1,2-propanediol |
| 1,2-Dihydroxy-3-mercaptopropane |
| 1,2-Propanediol, 3-mercapto- |
| 1-thioglycerol |
| 3-sulfanylpropane-1,2-diol |
| a-Monothioglycerol |
| thioglycerin |
| 1-Thio-DL-glycerol |
| 1-Mercaptoglycerol |
| 3-Mercaptopropane-1,2-diol |
| UNII:AAO1P0WSXJ |
| a-Thiolglycerol |
| α-Monothioglycerol |
| α-Thiolglycerol |
| 3-Mercapto-1,2-propanediol |
| Monothioglycerol |