3,5,5-三甲基己醇（CAS 3452-97-9）：分子式 C9H20O、分子量 144.25。
| CAS号 | 3452-97-9 |
|---|---|
| 分子式 | C9H20O |
| 分子量 | 144.25 |
| 熔点 | -70 °C |
| 沸点 | 193-202 °C |
| LogP | 3 |
| 应用领域 | Uses: Used as a closed system intermediate for plasticizers and esters、[OECD SIDS: 3、5、5-Trimethyl-1-hexanol - 2002] Used as a flavoring agent、[FDA]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Solvent、Industry Uses: Other、Intermediate、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 1、000、000 - <8、500、2021: 500、000 - <1、2020: 500、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、1-Hexanol、3、5-trimethyl-: ACTIVE |
登记用途：Uses: Used as a closed system intermediate for plasticizers and esters、[OECD SIDS: 3、5、5-Trimethyl-1-hexanol - 2002] Used as a flavoring agent、[FDA]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Solvent、Industry Uses: Other、Intermediate、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 1、000、000 - <8、500、2021: 500、000 - <1、2020: 500、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、1-Hexanol、3、5-trimethyl-: ACTIVE。
3,5,5-三甲基己醇 是一种化工化合物，登记 CAS 号为 3452-97-9，分子式 C9H20O（分子量 144.25）。
登记 CAS 号：3452-97-9
其分子式 C9H20O 由 9 个碳、20 个氢、1 个氧 组成。
别名/同义词：3,5,5-三甲基己醇 · 3,5,5-trimethyl-1-hexanol
3,5,5-三甲基己醇 的 CAS 登记号为 3452-97-9。
分子式 C9H20O，分子量 144.25。
别名/同义词：3,5,5-三甲基己醇、3,5,5-trimethyl-1-hexanol。
登记用途：Uses: Used as a closed system intermediate for plasticizers and esters、[OECD SIDS: 3、5、5-Trimethyl-1-hexanol - 2002] Used as a flavoring agent、[FDA]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Solvent、Industry Uses: Other、Intermediate、U.S. Production: 2023: 75、000 - <500、000 lb、2022: 1、000、000 - <8、500、2021: 500、000 - <1、2020: 500、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、1-Hexanol、3、5-trimethyl-: ACTIVE。
3,5,5-三甲基己醇（CAS 3452-97-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 3452-97-9 |
|---|---|
| PubChem CID | 18938 |
| Molecular formula | C9H20O |
| Molecular weight | 144.15 g/mol |
| IUPAC name | 3,5,5-trimethylhexan-1-ol |
| InChIKey | BODRLKRKPXBDBN-UHFFFAOYSA-N |
| UNII (FDA) | O5KUD6I57K |
| ChEBI ID | CHEBI:178388 |
| FEMA number | 3324 |
| JECFA number | 268 |
| Molecular Weight | 144.25 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.151415257 |
| Monoisotopic Mass | 144.151415257 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 10 |
| Boiling Point | 193-202 °C |
|---|---|
| Boiling Point | 142 °C (150 mm Hg) |
| Melting Point | -70 °C |
| Flash Point | 93 °C o.c. |
| Density | 0.835 (20 °C/20 °C) |
| Vapor Pressure | 0.3 [mmHg] |
| Refractive Index | 1.435 |
3,5,5-Trimethylhexan-1-ol; 3,5,5-Trimethyl-1-hexanol; 3452-97-9; Nonylol; 3,5,5-Trimethylhexanol; 1-Hexanol, 3,5,5-trimethyl-; 3,5,5-Trimethylhexyl alcohol; Trimethylhexyl alcohol; FEMA No. 3324; DTXSID7029661; O5KUD6I57K; NSC-83151; NSC-97226; DTXCID309661; RefChem:91303; 222-376-7
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 2.9% (24 / 838) |
| GHS notification summary | 2.9% (24 / 838) |
|---|---|
| Reported hazard statements | H315 (69.7%), H319 (64.3%), H373 (72%), H412 (27.4%), H401, H227, H302, H313 |
This chemical does not meet GHS hazard criteria for 2.9% (24 of 838) of reports.
H315 (69.7%): Causes skin irritation [Warning Skin corrosion/irritation]
3,5,5-trimethyl-1-hexanol is identified by CAS 3452-97-9, molecular formula C9H20O and molecular weight 144.15 g/mol. UNII O5KUD6I57K; ChEBI 178388; InChIKey BODRLKRKPXBDBN-UHFFFAOYSA-N. Boiling Point: 193-202 °C; Boiling Point: 142 °C (150 mm Hg); Melting Point: -70 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3,5,5-trimethyl-1-hexanol