(-)-alpha-Pinene

HCID 440968
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기본 정보

CAS
2437-95-8
표준 SMILES
CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIKey
GRWFGVWFFZKLTI-IUCAKERBSA-N
분자식
C10H16
평균 분자량
136.23 g/mol
단동위원소 질량
136.12520051

개요

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

이름 및 식별자

우선 이름
(-)-alpha-Pinene
IUPAC
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
영어명
alpha-Pinene
분자식
C10H16
분자량
136.23

이름 및 동의어

(-)-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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.8
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

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 · 3건

Liquid

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

Liquid

물리화학적 성질

녹는점
-55 °C · -55 °C
끓는 점
155 · 155-156 °C(lit.)
밀도
0.858 g/mL · 0.858 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.465(lit.)
인화점
90 °F · 90 °F
Dielectric constant
2.6 · 2.6(25℃)

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 4건

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 · 3건

Flam. Liq. 3 (94.9%)

Skin Irrit. 2 (100%)

Acute toxicity (ingestion) - category 4

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
1
rtecs
DT7000000
ridadr
UN 2368
HS 번호
29021910
risk_code
10-36/37/38-43-50
hazard_code
Xi,N

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

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
응용 분야 · 2건

용도β-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 설명Alpha-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 방법

생산 방법beta-pinene can be produced 1) by isolation from American Turpentine (minor component). 2) it is also possible to convert alpha-Pinene into bera-isomer.

상·하류 제품 정보

공급사101 곳

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]

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