(-)-alpha-Pinene
α-Pinene · BETA-PINENE · A-PINENE · FEMA 2902 · ALFA-PINENE · PINENE, ALPHA · CYCLIC DEXADIENE · BICYCLO [3.1.1] HEPT-2-ENE, 2,6,6-TRIMETHYL
식별자 및 물리적 특성
| CAS No. | 2437-95-8 |
|---|---|
| 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-IUCAKERBSA-N |
| PubChem CID | 440968 |
| ChEMBL | CHEMBL3109297 |
| ChEBI | CHEBI:28660 |
| EC No. | 219-445-9 |
| DTXSID | DTXSID2029290 |
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 |
| 향료 | Fragrance Ingredient (l-.alpha.-Pinene) -> IFRA transparency List |
| LogP(분배 계수) | 4.48 |
| 끓는 점 | 155.00 to 157.00 °C. @ 760.00 mm Hg155-156 °C(lit.) |
| 녹는점 | -62 °C-55 °C |
| Physical Description | LiquidLiquid with an odor of turpentine[Merck Index] Colorless liquid[Acros Organics MSDS] |
| 밀도 | 0.858 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.465(lit.) |
| 인화점 | 90 °F |
| 유전율 | 2.6(25℃) |
| InChI | InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/s3 |
| InChIKey | GRWFGVWFFZKLTI-JQEWEITDNA-N |
| SMILES | [C@@]12([H])C(C)=CC[C@@]([H])(C1)C2(C)C |&1:0,6,r| |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 5.1% (37 of 725) of reports.DangerH226 (94.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P321, P330, 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 725 reports by companies from 31 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-, (1S)-Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)- 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-, (1S,5S)- 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: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/145282-Pinene, (1S,5S)-(-)-: 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 | May cause irritationInhalation may cause dizziness or suffocation[Acros Organics MSDS] See alpha-Pinene. |
| Hazard Classes and Categories | Flam. Liq. 3 (94.9%)Skin Irrit. 2 (100%)Acute toxicity (ingestion) - category 4 |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 1 |
| RTECS 번호 | DT7000000 |
| 운송 번호(UN) | UN 2368 |
| 관세 코드 | 29021910 |
| 위험 문구(R) | 10-36/37/38-43-50 |
| 위험 표시 | Xi,N |
| 안전 문구(S) | 26-36/37-61 |
| 포장분류 | III |
| 위험 등급 | 3 |
| 기존화학 물질 | KE-28755 |
용도
용도
β-Pinene is also used in flavor compositions, partly as ingredient in artificial Lemon and Nutmeg oils, partly as component of such type flavors. The concentration in the finished product will be about 15 to 150 ppm. alpha-Pinene has a more balsamic taste, while be~a-Pinene, less suitable for flavors, has a dry-woody character.
일반 설명
Alpha-pinene appears as a clear colorless liquid with a turpentine odor. Flash point 91 °F. Less dense than water and insoluble in water. Vapors are heavier than air. Used as a solvent.
제조 및 합성 방법
생산 방법
beta-pinene can be produced 1) by isolation from American Turpentine (minor component). 2) it is also possible to convert alpha-Pinene into bera-isomer.