기본 정보
- CAS
2436-90-0- 표준 SMILES
C=CC(C)CCC=C(C)C- InChIKey
FUDNBFMOXDUIIE-UHFFFAOYSA-N- 분자식
- C10H18
- 평균 분자량
- 138.25 g/mol
- 단동위원소 질량
- 138.14085057
개요
Dihydromyrcene is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Dihydromyrcene
- IUPAC
- 3,7-dimethylocta-1,6-diene
- 현지명
- 디하이드로미르센
- 영어명
- Dihydromyrcene
- 분자식
- C10H18
- 분자량
- 138.25
이름 및 동의어
3,7-Dimethylocta-1,6-dieneDIHYDROMYRCENECitronellene3,7-Dimethyl-1,6-octadiene1,6-Octadiene, 3,7-dimethyl-.beta.-CitronelleneDTXSID8029234UNII-LS5LA2BUG0LS5LA2BUG0EINECS 219-433-32,6-Dimethyl 2,7-octadiene3,7-Dimethyl-octa-1,6-diene
이름 더 보기
디하이드로미르센166-168℃1.4350-1.44200.7580-0.7670(+)-β-citronellene(+)-BETA-CITRONELLENE3,7-dimethyl-6-octadiene3,7-Dimethylocta-1,6-dien
BETA-CITRONELLENEDTXCID809234EC 219-433-3RefChem:1338863,7Dimethyl1,6octadiene3,7Dimethylocta1,6diene1,6Octadiene, 3,7dimethylUN2319
데이터베이스 식별자
- CAS
2436-90-0- PubChem CID
- 17090
- DTXSID
DTXSID8029234- ChEMBL
CHEMBL2268551- ChEBI
CHEBI:232106- UNII
- LS5LA2BUG0
- EC Number
- 219-433-3
- Nikkaji
- J1.810D
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Terpenes
FragrancesFragrance Ingredient (Dihydromyrcene) -> IFRA transparency List
Vapor Pressure2.57 [mmHg]
Physical Description
Liquid; CBI
Liquid; [EPA ChAMP: Hazard Characterization: Monoterpene Hydrocarbons Category - 2009] Clear colorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -69.6 °C · -69.6°C (estimate)
- 끓는 점
- 154 · 154-155 °C(lit.)
- 밀도
- 0.76 g/mL · 0.760 g/mL at 20 °C(lit.)
- 증기압
- 4.09 hPa · 4.09hPa at 20℃
- 굴절률
- 20 · n20/D 1.437
- 인화점
- 38 °C · 38 °C
- 저장 조건
- 2 · 2-8°C
- 냄새
- 100 %에서 · 100.00%에서. 시트로넬롤 허브 시트러스 테르페닉
- 냄새 유형
- 꽃향기
- 수용성
- 2.24 mg/L · 2.24mg/L at 20℃
- 화장품 원료 기능
- 향수
- InChI
- InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3
- InChIKey
- FUDNBFMOXDUIIE-UHFFFAOYSA-N
- SMILES
- C=CC(C)CC/C=C(\C)/C
- LogP
- 5.796 at · 5.796 at 25℃
- NIST
- 2 · 2,6-Dimethyl 2,7-octadiene(2436-90-0)
- EPA
- Dihydromyrcene (2436-90-0)
화학적 성질
Colorless and transparent liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (100%): 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, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1612 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,6-Octadiene, 3,7-dimethyl-
1,6-Octadiene, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Octadiene, 3,7-dimethyl- 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: 3,7-dimethylocta-1,6-diene (EC: 219-433-3)
Dihydromyrcene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySkin sensitization in guinea pigs and humans; Histopathological liver changes in repeated-dose oral studies of mice at 1,000 mg/kg/day; [EPA ChAMP: Hazard Characterization: Monoterpene Hydrocarbons Category - 2009] See Myrcene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RG5340000
- ridadr
- UN 2319 3/PG 3
- 기존화학 물질
- KE-11580
- F 고인화성물질
- 10
화학 및 산업
용도 및 제조
Uses
Monoterpene hydrocarbons are found in all plants and common in foods; Used as intermediates, odor agents, flavoring agents, and solvents for cleaning and degreasing in products including soaps, detergents, automotive care products, rubber and plastic products, polishes, and sanitation products; [EPA ChAMP: Hazard Characterization: Monoterpene Hydrocarbons Category - 2009]
Metal Degreasing [Category: Clean]
U.S. Production2023: 850,000 - <1,000,000 lb
Consumer UsesFragrance
Industry UsesOdor agents
Household ProductsInformation on 16 consumer products that contain Dihydromyrcene in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1,6-Octadiene, 3,7-dimethyl-: ACTIVE
응용 분야
용도Dihydromyrcene is used as a fragrance intermediate and can be used to synthesize dihydromyrcenol.
상·하류 제품 정보
상류 원료
하류 제품
공급사98 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
江西林缘香料有限公司13879661494 13879661494 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
Hebei Zhuanglai Chemical Trading Co.,Ltd13343047651 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
济南琳盛化工有限公司18769772272 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
石家庄通洋进出口有限公司[email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
昆山中莱特贸易有限公司0512-55170668 13913095008;13770601296 · [email protected]
Changsha Chemoway Imp and Exp Co.,Ltd+86-18942506900 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
青岛海力诺化工有限公司[email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
舟山广兴化学有限公司15698059122 15698059122 · [email protected]
湖北鑫杰成化工科技有限公司18008658050 18008658050 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
深圳市森迪生物科技有限公司18124570582 TEL：0755-23574479 2355327139 · [email protected]
BOC Sciences[email protected]
山东小野化学股份有限公司0539-6362799 20）
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
湖北中隆康盛精细化工有限公司027-83850381 18171045381 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…