基本信息
- CAS
1247790-47-1- 标准SMILES
CC(C)CCC(C)C(C)O- InChIKey
NTDKHABICKZMPG-UHFFFAOYSA-N- 分子式
- C9H20O
- 平均分子量
- 144.25 g/mol
- 单同位素质量
- 144.15141526
名称与标识
- 首选名称
- 2-Heptanol, 3,6-dimethyl-
- IUPAC
- 3,6-dimethylheptan-2-ol
名称与别名
3,6-dimethylheptan-2-ol1247790-47-12-Heptanol, 3,6-dimethyl-DTXSID90889280EC 801-829-8RefChem:472819DTXCID901028543801-829-8SCHEMBL1657177NTDKHABICKZMPG-UHFFFAOYSA-NAKOS011020298NS00008891
展开更多名称
EN300-1637395
数据库标识
- CAS
1247790-47-1- PubChem CID
- 19871663
- DTXSID
DTXSID90889280- EC Number
- 801-829-8
- Nikkaji
- J3.745.672A
性质
结构计算性质
- XLogP
- 3
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 4
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 78.8
实验与物化性质
FragrancesFragrance Ingredient (2-_Heptanol, 3,_6-_dimethyl-) -> IFRA transparency List
安全与法规
安全信息仅供参考，不能替代供应商安全技术说明书（SDS）、适用法规与专业评估。
GHS分类
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Regulatory Information
Chemical: 2-Heptanol, 3,6-dimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 3,6-dimethylheptan-2-ol (EC: 801-829-8)
Hazard Classes and CategoriesSkin Sens. 1B (100%)
化学与工业
用途与制造
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Heptanol, 3,6-dimethyl-: ACTIVE
相关反应
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