기본 정보
- CAS
40248-63-3- 표준 SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)O- InChIKey
CILPHQCEVYJUDN-OUAUKWLOSA-N- 분자식
- C12H22O3
- 평균 분자량
- 214.3 g/mol
이름 및 식별자
- 우선 이름
- 2-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid
- IUPAC
- 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
- 현지명
- (-)-멘톡시아세트산
- 영어명
- (-)-Menthoxyacetic acid
- 분자식
- C12H22O3
- 분자량
- 214.3
이름 및 동의어
2-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid2-(((1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acidRefChem:446707(-)-Menthyloxyacetic acid40248-63-3(-)-Menthoxyacetic acidMFCD000014836070-21-9rel-2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetic acidSY0058332-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetic acidAcetic acid, [[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
이름 더 보기
(-)-멘톡시아세트산L-MENTHOXYACETIC ACID(-)-MenthyloxyaceticAci(?)-Menthyloxyacetic acidL-(Menthyloxy)acetic acidL-p-menth-3-yloxyacetic acid(-)-MENTHOXYACETIC ACID 98+%(-)-Menthyloxyacetic acid 98%(-)-menthyl carboxymethyl ether
SCHEMBL5825056DTXSID50871388CILPHQCEVYJUDN-OUAUKWLOSA-N(-)-Menthyloxyacetic acid, 98%AKOS028109457HY-W093149AS-31224CS-0140599
데이터베이스 식별자
- CAS
40248-63-3- PubChem CID
- 7018861
- EC Number
- 254-857-2
- Nikkaji
- J149.660C
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 213
물리화학적 성질
- 녹는점
- 52 · 52-55 °C(lit.)
- 끓는 점
- 163 · 163-164 °C10 mm Hg(lit.)
- 밀도
- 1.01 g/mL · 1.01 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.4672(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 3.47 · 3.47±0.10(Predicted)
- 색상
- 노란색
- BRN
- 2444474 · 2444474
- InChI
- 1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10+,11-/m1/s1
- InChIKey
- CILPHQCEVYJUDN-OUAUKWLOSA-N
- SMILES
- CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(O)=O
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29189900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사64 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
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Syntechem Co.,Ltd[email protected]
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TCI AMERICA800-4238616 · [email protected]
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成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
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厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
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