CAS 7785-70-8 alpha-Pinene, (+)- (HCID 82227)

개요

(+)-alpha-pinene is the (+)-enantiomer of alpha-pinene. It has a role as a plant metabolite and a human metabolite. It is an enantiomer of a (-)-alpha-pinene.

이름 및 식별자

우선 이름: alpha-Pinene, (+)-
IUPAC: (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
현지명: (+)-A-피넨
영어명: (1R)-(+)-alpha-Pinene
분자식: C10H16
분자량: 136.23

이름 및 동의어

(+)-alpha-Pinene7785-70-8(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(1R)-(+)-alpha-Pinene(+)-2-Pinenealpha-Pinene, (+)-d-.alpha.-Pinenealpha-Pinene(dextro)(1R)-alpha-Pinene(+)-Pin-2(3)-ene(+)-.alpha.-PineneDTXSID7041671

이름 더 보기

(+)-A-피넨(+)-A-피넨((+)-A-PINENE)(1R)-(+)-a-핀넨(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(+)-α-PineneFEMA 2902(1R)-(+)-α-pinene(+)-a-pineneα-Pinene dextro(1R,5R)-2-6,6-TRIMETHYL-BICYCLO[3.1.1]HEPT-2-ENE(1R)-(+)-a-pineneAlpha Pinene Dextro2,6,6-trimethyl-,(1R)-Bicyclo[3.1.1]hept-2-ene

H6CM4TWH1W(1R,5R)-pin-2-eneBicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-CCRIS 9059EINECS 232-087-8.ALPHA.-PINENE, D-(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE.ALPHA.-PINENE-(+)

데이터베이스 식별자

CAS: 7785-70-8
PubChem CID: 82227
DTXSID: DTXSID7041671
ChEMBL: CHEMBL1236329
ChEBI: CHEBI:28261
UNII: H6CM4TWH1W
EC Number: 232-087-8
Nikkaji: J95.399G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 186

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Terpenes

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

FragrancesFragrance Ingredient (d-.alpha.-Pinene) -> IFRA transparency List

LogP4.44

Density0.855-0.860

Solubility · 2건

Insoluble in water; soluble in oils

Soluble (in ethanol)

물리화학적 성질

녹는점: 62 °C · −62 °C(lit.)
끓는 점: 155 · 155-156 °C(lit.)
밀도: 0.858 g/mL · 0.858 g/mL at 20 °C(lit.)
증기압: 5 hPa · 5 hPa (25 °C)
FEMA: 2902 · 2902 | ALPHA-PINENE
굴절률: 20 · n20/D 1.465(lit.)
인화점: 91 °F · 91 °F
저장 조건: 2 °C · Store at +2°C to +8°C.
물리적 상태: 액체
색상: 무색의
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 거친 테르펜 방향족 민트
냄새 유형: 약초
폭발한계: 0.8 · 0.8-6%(V)
생물학적 소스: synthetic
수용성: 에테르, 알코올, 클로로포름에 용해됩니다. 물과 섞이지 않습니다.
Merck: 14 · 14,7445
JECFA Number: 1329 · 1329
BRN: 3648264 · 3648264
Dielectric constant: 2.7 · 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: 4.44 · 4.44-4.46 at 20-37℃
EPA: 3.1 · 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

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.3% (5 of 1465) of reports.

Danger

H226 (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.

Danger

유해성 정보

Regulatory Information · 4건

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

Other Safety InformationIMAP assessments - Alpha-pinene: Human health tier II assessment

Hazards SummaryA skin and strong eye irritant; May cause allergic reactions in sensitive individuals, based on QSAR modeling; [Sigma-Aldrich MSDS] See alpha-Pinene.

Hazard Classes and Categories · 2건

Flam. Liq. 3 (99.7%)

Acute toxicity (ingestion) - category 4

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DT7000000
ridadr: UN 2368 3/PG 3
HS 번호: 2902 19 00
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36-16-23
포장분류: III
위험 등급: 3
기존화학 물질: KE-34428
F 고인화성물질: 10
자연 발화 온도: 491 °F
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 3Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

U.S. Production2023: 10,000,000 - <50,000,000 lb

Industry UsesIntermediates

Household ProductsInformation on 2 consumer products that contain D-Alpha-Pinene in the following categories is provided:

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-: ACTIVE

응용 분야

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.

상·하류 제품 정보

상류 원료

Bicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-4-methylene-, (1S,5S)-Borane, dichloro[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-(S)-1-페닐-BUT-3-EN-1-OL 2-Cyclohexene-1-methanol, α-methyl-, (αR,1R)-[1R-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one [(1R,2S,3R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]borane (-)-Diisopinocampheyl borane

하류 제품

(1S,2S,3R,5S)-(+)-2,3-Pinanediol 2,6-Dimethyl-2,4,6-octatriene 파라시멘 (1R)-(+)-cis-Pinane 시스-4-히드록시-알파,알파,4-트리메틸시클로헥산메탄올 (-)-이소피노캄필아민 (1S,2S,5S)-(-)-2-Hydroxy-3-pinanone

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

추가 설명

정의ChEBI: The (+)-enantiomer of alpha-pinene.

화합물 노트

불러오는 중…

(+)-A-피넨

기본 정보

개요