테르피놀렌
테르피놀렌 · 테르피놀렌(TERPINOLENE) · 과산화물가가10mmol/L을초과하는터피놀렌 · 터피노렌 · p-멘타-1,4(8)-디엔 · 터피놀렌 · p-Mentha-1,4(8)-diene · ALPHA-TERPINOLENE
식별자 및 물리적 특성
| CAS No. | 586-62-9 |
|---|---|
| 분자식 | C10H16 |
| 평균 분자량 | 136.23 g/mol |
| 단동위원소 질량 | 136.12520051 g/mol |
| SMILES | CC1=CCC(=C(C)C)CC1 |
| InChIKey | MOYAFQVGZZPNRA-UHFFFAOYSA-N |
| PubChem CID | 11463 |
| ChEMBL | CHEMBL454697 |
| ChEBI | CHEBI:9457 |
| EC No. | 209-578-0 |
| DTXSID | DTXSID0027222 |
| 현지명 | 테르피놀렌 |
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 | 178 |
| 물질 분류 | Biological Agents -> TerpenesFlammable agents - 3rd degree |
| 지질 | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| 화장품 | Cosmetics ingredient -> FlavorFragrance |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (Terpinolene) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 4.474.24 |
| 냄새 | SWEET, PINE ODORPINE-LIKE AROMA디프로필렌 글리콜 중 10.00%. 신선한 우디 달콤한 소나무 감귤류 |
| 맛 | SOMEWHAT SWEET, CITRUS FLAVORTERPENE TASTE |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.8632 g/cu cm at 15 °CBulk density: wt/gal 7.2 lb at 15.5 °C0.872-0.8820.861 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | Water-white to pale amber liquidColorless liquid or oil |
| 녹는점 | <25 °C |
| 끓는 점 | 184-185 °C (lit.) |
| 증기 밀도 | ~4.7 (vs air) |
| 증기압 | ~0.5 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.489(lit.) |
| FEMA | 3046 | TERPINOLENE |
| 인화점 | 148 °F |
| 저장 조건 | 2-8°C |
| 용해도 | Chloroform: Slightly SolubleMethanol: Slightly Soluble |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 또는 연한 밀짚색 액체. |
| 비중 | 0.84 |
| 향취 유형 | 약초 |
| 생물학적 소스 | synthetic |
| 용해도 | 6.812mg/L(25℃) |
| JECFA Number | 1331 |
| BRN | 1851203 |
| 헨리 상수 | 7.9×10-4 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| 유전율 | 2.3(Ambient) |
| 안정성 | 감광성 |
| 주요 응용 | 청소용품화장품음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향기 |
| InChI | 1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 |
| InChIKey | MOYAFQVGZZPNRA-UHFFFAOYSA-N |
| SMILES | C\C(C)=C1/CCC(C)=CC1 |
| LogP(분배 계수) | 4.33-4.38 at 20-37℃ |
| NIST | Cyclohexene, 1-methyl-4-(1-methylethylidene)-(586-62-9) |
| EPA | Terpinolene (586-62-9) |
화학적 성질
Terpinolene has a pleasant sweet-piney odor with a somewhat sweet, citrus flavor.
안전 및 규제
| GHS 분류 | DangerH226 (77.8%): 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 2251 reports by companies from 44 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Cyclohexene, 1-methyl-4-(1-methylethylidene)-Hazard Traits - Fragrance AllergenCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexene, 1-methyl-4-(1-methylethylidene)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexene, 1-methyl-4-(1-methylethylidene)- 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: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10412Cyclohexene, 1-methyl-4-(1-methylethylidene)-: HSNO Approval: HSR001222 Approved with controls |
| 기타 안전 정보 | IMAP assessments - Terpinene, terpinolene and phellandrene: Human health tier II assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 화재 가능성 | A very dangerous fire hazard when exposed to heat or flame.Flammable, moderate fire risk. |
| 건강 유해성 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| 유해성 요약 | Safe when used as a flavoring agent[JECFA] Not a sensitizer in the maximization testA positive patch test was reported in a woman using a machine cleaner containing terpinolene. [NTP] Included in list of established contact allergens in humans |
용도
출처
Reported found in citrus juices and oils, black currant, guava, papaya, raspberry, various spice and mint oils, tea, passion fruit, litchi, lovage oil, distilled lime peel oil, ginger, nutmeg, pepper, mace, coriander seed, lovage seed, lovage root, myrtle leaf, pimento berry, pimento leaf, winter savory, smaller galanga, Ethiopian or guinea pepper and ashanti pepper.
용도
Solvent for resins, essential oils; manufacture of synthetic resins, synthetic flavors.
일반 설명
A water-white to light amber colored liquid. Insoluble in water and less dense than water. Flash point 99°F. Used to make plastics and resins.
제조 및 합성 방법
생산 방법
Terpinolene used to be extracted by fractional distillation of wood turpentine. It is now produced bytreatinga-pinene with aqueous H3PO4 at 75 ℃. It is preferable to distill terpinolene under vacuum to minimize the formation of polymeric products at elevated temperatures.
제조 방법
By alcoholic sulphuric acid treatment of pinene (Arctander, 1969).