Introduction：Basic information about CAS 100-50-5|3-Cyclohexene-1-carboxaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Cyclohexene-1-carboxaldehyde |
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| CAS Number | 100-50-5 | Molecular Weight | 110.154 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 105.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H10O | Melting Point | 1-3°C |
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| MSDS | ChineseUSA | Flash Point | 57.2±0.0 °C |
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| Symbol |
GHS02, GHS07 | Signal Word | Warning |
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Names
| Name | 3-Cyclohexene-1-carboxaldehyde |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 105.0±0.0 °C at 760 mmHg |
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| Melting Point | 1-3°C |
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| Molecular Formula | C7H10O |
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| Molecular Weight | 110.154 |
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| Flash Point | 57.2±0.0 °C |
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| Exact Mass | 110.073166 |
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| PSA | 17.07000 |
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| LogP | 1.59 |
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| Vapour density | 3.8 (vs air) |
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| Vapour Pressure | 30.1±0.2 mmHg at 25°C |
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| Index of Refraction | 1.550 |
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| InChIKey | DCFDVJPDXYGCOK-UHFFFAOYSA-N |
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| SMILES | O=CC1CC=CCC1 |
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| Stability | Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GW2800000
- CHEMICAL NAME :
- 4-Cyclohexene-1-carboxaldehyde
- CAS REGISTRY NUMBER :
- 100-50-5
- BEILSTEIN REFERENCE NO. :
- 0774001
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C7-H10-O
- MOLECULAR WEIGHT :
- 110.17
- WISWESSER LINE NOTATION :
- L6UTJ DVH
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 :
- 2460 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 :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2000 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,276,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1300 uL/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes Blood - hemorrhage Skin and Appendages - dermatitis, other (after systemic exposure)
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072
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Safety Information
| Symbol |
GHS02, GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H226-H312-H315-H319-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338 |
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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 | Xn:Harmful |
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| Risk Phrases | R21;R36/37/38 |
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| Safety Phrases | S26-S36-S45 |
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| RIDADR | UN 2498 3/PG 3 |
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| WGK Germany | 1 |
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| RTECS | GW2800000 |
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| Packaging Group | III |
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| Hazard Class | 3 |
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| HS Code | 2912299000 |
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Customs
| HS Code | 2912299000 |
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| Summary | 2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 3-cyclohexene carboxaldehyde |
| 3-cyclohexenecarbaldehyde |
| 4-FORMYL-1-CYCLOHEXENE |
| 1,2,5,6-tetrahydrobenzaldehyde |
| 4-Formylcyclohexene |
| 3-CYCLOHEXENYLMETHANAL |
| 3-Cyclohexene-1-carbaldehyde |
| 1,2,3,6-tetrahydrobenzaldehyde |
| Cyclohexene-4-carbaldehyde |
| cyclohex-3-enecarbaldehyde |
| 3-Cyclohexen-1-aldehyde |
| Cyclohex-3-en-1-carbaldehyd |
| EINECS 202-858-3 |
| UNII:GAK9539347 |
| cyclohex-3-ene-1-carbaldehyde |
| 1-Formyl-3-cyclohexene |
| TETRAHYDROBENZALDEHYDE |
| MFCD00001572 |
| 3-Cyclohexene-1-carboxaldehyde |
