Introduction：Basic information about CAS 10042-59-8|2-propylheptanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-propylheptanol |
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| CAS Number | 10042-59-8 | Molecular Weight | 158.281 |
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| Density | 0.8±0.1 g/cm3 | Boiling Point | 217.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C10H22O | Melting Point | / |
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| MSDS | / | Flash Point | 87.1±6.5 °C |
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Names
| Name | 2-propylheptan-1-ol |
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| Synonym | More Synonyms |
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2-propylheptanol BiologicalActivity
| Description | 2-Propylheptanol is an intermediate and can be used for synthesizing a series of plasticizers by esterification with phthalic anhydride, trimellitic anhydride and adipic acid, etc[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Hualiang An, et al. Preparation of Ni-IL/SiO2 and its catalytic performance for one-pot sequential synthesis of 2-propylheptanol from n-valeraldehyde. Issue 47, 2020, Issue in Progress |
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Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
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| Boiling Point | 217.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C10H22O |
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| Molecular Weight | 158.281 |
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| Flash Point | 87.1±6.5 °C |
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| Exact Mass | 158.167068 |
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| PSA | 20.23000 |
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| LogP | 3.88 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.434 |
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| InChIKey | YLQLIQIAXYRMDL-UHFFFAOYSA-N |
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| SMILES | CCCCCC(CO)CCC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MJ4800000
- CHEMICAL NAME :
- 1-Heptanol, 2-propyl-
- CAS REGISTRY NUMBER :
- 10042-59-8
- BEILSTEIN REFERENCE NO. :
- 1361442
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C10-H22-O
- MOLECULAR WEIGHT :
- 158.32
- WISWESSER LINE NOTATION :
- Q1Y5&3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6730 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,698,1969
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Safety Information
Synonyms
| 1-Heptanol, 2-propyl- |
| 2-n-Propyl-1-Heptanol |
| 2-propylheptyl alcohol |
| MFCD00046768 |
| 2-propylheptanol |
| heptan-1-ol, 2-propyl- |
| 1-Heptanol,2-propyl |
| 2-Propylheptan-1-ol |
| 2-Propyl-1-heptanol |
| 2-propyl-heptan-1-ol |
| EINECS 233-126-1 |
