Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(+)-A-피넨
(+)-A-피넨 · (+)-A-피넨((+)-A-PINENE) · (1R)-(+)-a-핀넨 · (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene · (+)-α-Pinene · FEMA 2902 · (1R)-(+)-α-pinene · (+)-a-pinene
식별자 및 물리적 특성
| CAS No. | 7785-70-8 |
|---|---|
| 분자식 | C10H16 |
| 평균 분자량 | 136.23 g/mol |
| 단동위원소 질량 | 136.12520051 g/mol |
| SMILES | CC1=CC[C@@H]2C[C@H]1C2(C)C |
| InChIKey | GRWFGVWFFZKLTI-RKDXNWHRSA-N |
| PubChem CID | 82227 |
| ChEMBL | CHEMBL1236329 |
| ChEBI | CHEBI:28261 |
| EC No. | 232-087-8 |
| DTXSID | DTXSID7041671 |
| 현지명 | (+)-A-피넨 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 186 |
| 물질 분류 | Biological Agents -> Terpenes |
| 지질 | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| 향료 | Fragrance Ingredient (d-.alpha.-Pinene) -> IFRA transparency List |
| LogP(분배 계수) | 4.44 |
| 밀도 | 0.855-0.8600.858 g/mL at 20 °C(lit.) |
| 용해도 | Insoluble in watersoluble in oilsSoluble (in ethanol) |
| 끓는 점 | 155.00 to 156.00 °C. @ 760.00 mm Hg155 °C155-156 °C(lit.) |
| 녹는점 | -62 °C−62 °C(lit.) |
| 굴절률 | 1.462-1.468n20/D 1.465(lit.) |
| Physical Description | LiquidClear colorless liquid[Sigma-Aldrich MSDS]Colourless mobile liquidwarm, resinous, pine-like aroma |
| 증기압 | 5 hPa (25 °C) |
| FEMA | 2902 | ALPHA-PINENE |
| 인화점 | 91 °F |
| 저장 조건 | Store at +2°C to +8°C. |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 거친 테르펜 방향족 민트 |
| 향취 유형 | 약초 |
| 폭발한계 | 0.8-6%(V) |
| 생물학적 소스 | synthetic |
| 용해도 | 에테르, 알코올, 클로로포름에 용해됩니다. 물과 섞이지 않습니다. |
| Merck | 14,7445 |
| JECFA Number | 1329 |
| BRN | 3648264 |
| 유전율 | 2.7(20℃) |
| 주요 응용 | 향료 및 향 |
| InChI | 1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 |
| InChIKey | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
| SMILES | CC1=CC[C@@H]2C[C@H]1C2(C)C |
| LogP(분배 계수) | 4.44-4.46 at 20-37℃ |
| EPA | Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- (7785-70-8) |
화학적 성질
(1R)-(+)-ALPHA-PINENE is Clear colourless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.3% (5 of 1465) of reports.DangerH226 (99.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1465 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- 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)Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/9984(1R)-(+)-a-pinene: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Alpha-pinene: Human health tier II assessment |
| 유해성 요약 | A skin and strong eye irritantMay cause allergic reactions in sensitive individuals, based on QSAR modeling[Sigma-Aldrich MSDS] See alpha-Pinene. |
| Hazard Classes and Categories | Flam. Liq. 3 (99.7%)Acute toxicity (ingestion) - category 4 |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DT7000000 |
| 운송 번호(UN) | UN 2368 3/PG 3 |
| 관세 코드 | 2902 19 00 |
| 위험 문구(R) | 10-36/37/38 |
용도
용도
(1R)-(+)-α-Pinene is used in hydroboration reactions and the reduction of ketones.
일반 설명
(+)-α-Pinene is a monoterpenoid compound mainly found in Pinus species.