기본 정보
- CAS
5794-04-7- 표준 SMILES
C=C1[C@@H]2CC[C@@H](C2)C1(C)C- InChIKey
CRPUJAZIXJMDBK-BDAKNGLRSA-N- 분자식
- C10H16
- 평균 분자량
- 136.23 g/mol
- 단동위원소 질량
- 136.12520051
이름 및 식별자
- 우선 이름
- (-)-Camphene
- IUPAC
- (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
- 현지명
- (-)-캄펜
- 영어명
- (-)-Camphene
- 분자식
- C10H16
- 분자량
- 136.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5794-04-7- PubChem CID
- 440966
- DTXSID
DTXSID3046538- ChEMBL
CHEMBL506889- ChEBI
CHEBI:89- UNII
- M5YAV509FN
- EC Number
- 227-337-8
- Nikkaji
- J39.022D
물성
구조 계산 물성
- XLogP
- 3.3
- 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
- 176
물리화학적 성질
- 녹는점
- 36 · 36-38 °C(lit.)
- 끓는 점
- 157.5 · 157.5-158.5 °C(lit.)
- 밀도
- 0.84 g/mL · 0.84 g/mL at 25 °C(lit.)
- 굴절률
- 1.4562 · 1.4562 (estimate)
- 인화점
- 98 °F · 98 °F
- 용해도
- 벤젠(약간 용해됨), 클로로포름(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색 왁스
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 신선한 우디 전나무 테르펜
- 냄새 유형
- 우디
- Merck
- 14 · 14,1730
- 안정성
- 휘발성 물질
- InChI
- 1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
- InChIKey
- CRPUJAZIXJMDBK-BDAKNGLRSA-N
- SMILES
- CC1(C)[C@H]2CC[C@H](C2)C1=C
- LogP
- 4.239 · 4.239 (est)
- EPA
- 2.2 · Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1S,4R)- (5794-04-7)
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (56.2%): Flammable liquid and vapor [Warning Flammable liquids];H228 (44.4%): Flammable solid [Danger Flammable solids];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (72.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1S)-
Bicyclo2.2.1heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1S)-
Bicyclo2.2.1heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EX1055000
- ridadr
- UN 1325 4.1/PG 2
- risk_code
- 11-10
- hazard_code
- F
- safety_code
- 16-33-29
- 포장분류
- III
- 위험 등급
- 4.1
- Hazard Classifications
- Flam. Sol. 1
- 스토리지 클래스
- 4.1B - Flammable solid hazardous materials
화학 및 산업
용도 및 제조
상·하류 제품 정보
하류 제품
공급사15 곳
추가 설명
정의ChEBI: A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has S configuration at position 1 and R configuration at position 4.
관련 반응
화합물 노트
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