Alpha-Terpinene

HCID 7462

기본 정보

CAS: 99-86-5
표준 SMILES: CC1=CC=C(C(C)C)CC1
InChIKey: YHQGMYUVUMAZJR-UHFFFAOYSA-N
분자식: C10H16
평균 분자량: 136.23 g/mol
단동위원소 질량: 136.12520051

개요

Alpha-terpinene is one of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton. It has a role as a volatile oil component and a plant metabolite. It is a monoterpene and a cyclohexadiene.

이름 및 식별자

우선 이름: Alpha-Terpinene
IUPAC: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
영어명: alpha-Terpinene
분자식: C10H16
분자량: 0

이름 및 동의어

ALPHA-TERPINENE99-86-5p-Mentha-1,3-dieneTerpilene1-Isopropyl-4-methyl-1,3-cyclohexadiene1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-alpha-Terpinen1-methyl-4-propan-2-ylcyclohexa-1,3-dieneFEMA No. 3558alphaTerpineneDTXSID9041237CHEBI:10334

이름 더 보기

I24X278AP1DTXCID7021237RefChem:5530202-795-11-isopropyl-4-methylcyclohexa-1,3-diene1-Methyl-4-(1-methylethyl)-1,3-cyclohexadienea-terpinene1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene

데이터베이스 식별자

CAS: 99-86-5
PubChem CID: 7462
DTXSID: DTXSID9041237
ChEMBL: CHEMBL2251642
ChEBI: CHEBI:10334
UNII: I24X278AP1
EC Number: 202-795-1
Nikkaji: J4.975A

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: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 170

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Terpenes

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

CosmeticsCosmetics ingredient -> Conditioning/Emollient; Flavor; Fragrance; Other (Specify); Solvent

SpringerMaterials PropertiesDensity

FragrancesFragrance Ingredient (p-Mentha-1,3-diene) -> IFRA transparency List

LogP · 2건

4.25

물리화학적 성질

녹는점: 25 °C · <25 °C
끓는 점: 175 °C · 175 °C
밀도: 0.8529 g/cm3 · 0.8529 g/cm3(Temp: 23 °C)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H226: 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, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P331, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 6건

Chemical: 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-

Hazard Traits - Fragrance Allergen

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- 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)

REACH registered substance: p-mentha-1,3-diene (EC: 202-795-1)

alpha-Terpinene: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Higher exposure may cause unconsciousness; Harmful by ingestion, inhalation, and skin absorption; [MP Biomedicals MSDS] See gamma-Terpinene.

Hazard Classes and Categories · 4건

Flam. Liq. 3 (100%)

Aspiration hazard - category 1

Flammable liquids - Category 3

Flam. Liq. 3

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H226

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Uses · 2건

Component of terpenoid blend used as a foliar insecticide for field crops; [ExPub: EFSA: DAR - Vol. 1] Used as a flavoring agent; [FDA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Farming (Pesticides) [Category: Industry]

U.S. Production2023: 100,000 - <250,000 lb

Consumer UsesSemiconductor and photovoltaic agent

Industry UsesFragrance

Household Products · 2건

Cosmetics product ingredient: p-Mentha-1,3-diene (Alpha-Terpinene)

Information on 4 consumer products that contain Alpha-Terpinene in the following categories is provided:

Use Classification · 5건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

공급사100 곳

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]

南通润丰石油化工有限公司66017690 19952660367 · [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]

화합물 노트

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기본 정보

CAS: 99-86-5
표준 SMILES: CC1=CC=C(C(C)C)CC1
InChIKey: YHQGMYUVUMAZJR-UHFFFAOYSA-N
분자식: C10H16
평균 분자량: 136.23 g/mol
단동위원소 질량: 136.12520051

개요