기본 정보
- CAS
13466-78-9- 표준 SMILES
CC1=CCC2C(C1)C2(C)C- InChIKey
BQOFWKZOCNGFEC-UHFFFAOYSA-N- 분자식
- C10H16
- 평균 분자량
- 136.23 g/mol
- 단동위원소 질량
- 136.12520051
개요
Carene is a colorless liquid with a sweet, turpentine-like odor. Floats on water. (USCG, 1999)
이름 및 식별자
- 우선 이름
- 3-Carene
- IUPAC
- 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
- 현지명
- 3-카렌
- 영어명
- 3-Carene
- 분자식
- C10H16
- 분자량
- 136.23
이름 및 동의어
3-Carene13466-78-93,7,7-Trimethylbicyclo[4.1.0]hept-3-eneDelta-3-CareneDELTA3-CareneBicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-DTXSID40474623-KarenS-3-CareneDelta(3)-Carene3-Norcarene, 3,7,7-trimethyl-3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene
이름 더 보기
3-카렌3-카렌3,7,7-트라이메틸비사이클로[4.1.0]헵트-3-은(아이소디프렌)과산화물가가10mmol/L을초과하는아이소디프렌아이소디프렌3,7,7-트리메틸바이사이클로[4.1.0]헵-3-텐δ-3-Carene3-Carene, stabilized, 90%DELTA-CARENED-CARENEFEMA 3821delta-3-CARENE, NATURAL
DTXCID2027462FEMA NO. 3821Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-RefChem:25860236-719-3H2M15SNR6NCareneCar-3-ene
데이터베이스 식별자
- CAS
13466-78-9、74806-04-5- PubChem CID
- 26049
- DTXSID
DTXSID4047462- ChEMBL
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
- 형식 전하
- 0
- 복잡도
- 186
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Terpenes
FragrancesFragrance Ingredient (delta-3-Carene) -> IFRA transparency List
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
LogP
4.38
4.38
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.86 at 68 °F (USCG, 1999) - Less dense than water; will float
0.860-0.868
0.86
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in benzene, pet ether
Slightly soluble (in ethanol)
Boiling Point
338 °F at 760 mmHg (USCG, 1999)
169.00 to 174.00 °C. @ 705.00 mm Hg
169-174 °C
175-178 °C
Melting Point
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (3 of 1766) of reports.
Danger
H226 (97.7%): 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 1766 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- 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)
2007/442
Bicyclo4.1.0hept-3-ene, 3,7,7-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-: Human health tier II assessment
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsInhalation causes headache, confusion, respiratory distress. Ingestion irritates entire digestive system and may injure kidneys; if liquid enters lungs, it causes severe pneumonitis. Contact with eyes or skin causes irritation. (USCG, 1999)
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Uses
Used as an intermediate and solvent; [Hawley] One of the major components of turpentine; [ACGIH]
Painting (Solvents) [Category: Paint]
U.S. Production2023: <50,000 lb
Industry UsesIntermediates
Household ProductsInformation on 34 consumer products that contain 3-Carene in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-: ACTIVE
응용 분야
개요Hydroperoxides of Δ-3-carene are allergens contained in turpentine. Occupational exposure occurs in painters, varnishers, or in ceramic decoration. The percentage of Δ-3-Carene is higher in Indonesian turpentine than in Portugese.
출처Reported present in basil oil, bell pepper, bilberry, black currant berry juice and buds, fennel oil, grapefruit juice, kumquat peel oil, lemon peel oil, lime peel oil (cold pressed and distilled), lovage seed, mandarin peel oil, orange juice, orange peel oil, orange (bitter) peel oil, tangerine peel oil and other natural products.
용도Solvent, intermediate. 3-Carene is a mutagenic compound that may be found in the fumes of heating freshly cut spruce and birch chips. 3-Carene is also found i many esential oils and it inhibits acetylcholinesterase activity.
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