CAS 2437-95-8 (-)-alpha-Pinene (HCID 440968)

概要

(-)-alpha-pinene is an alpha-pinene. It is an enantiomer of a (+)-alpha-pinene.

名称と識別子

優先名称: (-)-alpha-Pinene
IUPAC: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
現地名: β‐ピネン
英語名: alpha-Pinene
分子式: C10H16
分子量: 136.23

名称と別名

(-)-alpha-Pinene7785-26-4(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(-)-2-PineneDTXSID2029290TZR3GM95PRDTXCID009290CHEBI:28660FEMA NO. 2902, (-)-(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(1S,5S)-2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene(1S)-2,6,6-trimethylbicyclo(3.1.1)hept-2-ene

名称をさらに表示

(RS)-α-ピネン(±)-α-ピネンdl-2-ピネンdl-α-ピネンrac-[1R*,5R*]-2,6,6-トリメチルビシクロ[3.1.1]ヘプタ-2-エンピネンβ‐ピネンα-PineneBETA-PINENEA-PINENEFEMA 2902ALFA-PINENEPINENE, ALPHACYCLIC DEXADIENEBICYCLO [3.1.1] HEPT-2-ENE, 2,6,6-TRIMETHYLACINTENE AALPHA PINEN

RefChem:1049077I+--Pinene, (-)-232-077-3(-)-|A-pinenealpha-Pinene, (-)-MFCD00064145(1S)-(-)-|A-PineneDL-ALPHA-PINENE

データベース識別子

CAS: 2437-95-8、7785-26-4、80-56-8
PubChem CID: 440968
DTXSID: DTXSID2029290
ChEMBL: CHEMBL3109297
ChEBI: CHEBI:28660
UNII: JPF3YI7O34、TZR3GM95PR
EC Number: 219-445-9、232-077-3
Nikkaji: J95.400D

物性

構造計算による物性

XLogP: 2.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 186

実験および物理化学的性質

Chemical ClassesBiological Agents -> Terpenes

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

LogP4.48

Boiling Point155.00 to 157.00 °C. @ 760.00 mm Hg

Melting Point-62 °C

Physical Description · 3 件

Liquid

Liquid with an odor of turpentine; [Merck Index] Colorless liquid; [Acros Organics MSDS]

Liquid

物理化学的性質

融点: -55 °C · -55 °C
沸点: 155 · 155-156 °C(lit.)
比重(密度): 0.858 g/mL · 0.858 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.465(lit.)
闪点: 90 °F · 90 °F
Dielectric constant: 2.6 · 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|
CAS データベース: 2437 · 2437-95-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 5.1% (37 of 725) of reports.

Danger

H226 (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.

Warning

危険有害性情報

Regulatory Information · 4 件

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/14528

2-Pinene, (1S,5S)-(-)-: 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 SummaryMay cause irritation; Inhalation may cause dizziness or suffocation; [Acros Organics MSDS] See alpha-Pinene.

Hazard Classes and Categories · 3 件

Flam. Liq. 3 (94.9%)

Skin Irrit. 2 (100%)

Acute toxicity (ingestion) - category 4

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk: 1
rtecs: DT7000000
ridadr: UN 2368
hs_code: 29021910
risk_code: 10-36/37/38-43-50
hazard_code: Xi,N
safety_code: 26-36/37-61
hazard_class: 3
packing_group: III

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

UsesUsed to make camphor, insecticides, solvents, plasticizers, perfume bases, and synthetic pine oil; [Merck Index]

U.S. Production2023: 104 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesNot Known or Reasonably Ascertainable

Household ProductsInformation on 12 consumer products that contain L-Alpha-Pinene in the following categories is provided:

Use ClassificationFragrance Ingredients

応用分野 · 3 件

使用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.

一般的な説明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.

使用用途α-ピネンは、香料や医薬品の原料として広く使用されている化合物です。合成樟脳・テルピネオール・ペリラルデヒドの原料として用いられています。また、塗料などの溶剤としても利用されています。また、ピネンの熱分解によって製造されるは、メントール・・ゲラニオール・ネロール・リナロール等の原料です。香料工業において広く用いられています。 α-ピネンとβ-ピネンをカチオン重合することによって生成された各種のテルペン樹脂は、や粘着剤の製造に用いられています。

調製方法

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.

上流・下流製品情報

下流製品

ミルセン酢酸イソボルニル β-シトロネロール (±)-リモネントキサフェン Terpene resin。Synthetic リナロールテルピネオール (-)-β-ピネン α-テルピネオール (±)-カンフェン

サプライヤー101 社

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

深圳市健竹科技有限公司0755-89218110 13480856786

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

化合物ノート

読み込み中…

β‐ピネン

基本情報

概要