식별자 및 물리적 특성
| CAS No. | 99-85-4 |
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| 분자식 | C10H16 |
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| 평균 분자량 | 136.23 g/mol |
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| 단동위원소 질량 | 136.12520051 g/mol |
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| SMILES | CC1=CCC(C(C)C)=CC1 |
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| InChIKey | YKFLAYDHMOASIY-UHFFFAOYSA-N |
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| PubChem CID | 7461 |
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| ChEMBL | CHEMBL449693 |
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| ChEBI | CHEBI:10577 |
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| EC No. | 202-794-6 |
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| DTXSID | DTXSID6041210 |
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화학 및 물리적 성질
| XLogP | 2.8 |
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| 극성 표면적 | 0 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 0 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 10 |
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| 형식 전하 | 0 |
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| 복잡도 | 170 |
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| 물질 분류 | Biological Agents -> Terpenes |
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| 지질 | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
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| SpringerMaterials Properties | Density |
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| 향료 | Fragrance Ingredient (p-Mentha-1,4-diene) -> IFRA transparency List |
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| LogP(분배 계수) | 4.50 |
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| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 밀도 | 0.841-0.8450.849 g/cm3 |
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| 향미제 | EU Flavoring substances |
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| 용해도 | 0.00868 mg/mL at 22 °CInsoluble in watersoluble in most fixed oilsSoluble (in ethanol) |
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| 끓는 점 | 181.00 to 183.00 °C. @ 760.00 mm Hg182 °C183 °C |
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| 녹는점 | -10 °C |
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| 증기압 | 1.09 [mmHg] |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.1% (3 of 2186) of reports.DangerH226 (99.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2186 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: p-mentha-1,4-diene (EC: 202-794-6)gamma-Terpinene: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - Terpinene, terpinolene and phellandrene: Human health tier II assessment |
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| 유해성 요약 | A moderate skin irritant[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Terpinolene. See TERPENES. |
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| Hazard Classes and Categories | Flam. Liq. 3 (99.4%)Aspiration hazard - category 1 |
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| 유해 작용 | Neurotoxin - Acute solvent syndrome |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| 신호 어 | Warning |
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| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H226 |
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