异戊酸（CAS 503-74-2）：分子式 C5H10O2、分子量 102.13。
| CAS号 | 503-74-2 |
|---|---|
| 分子式 | C5H10O2 |
| 分子量 | 102.13 |
| 熔点 | -29.3 |
| 沸点 | 176.5 |
| LogP | 1.2 |
| 应用领域 | Uses: Found in hop oil、tobacco、and other plants、[Merck Index] Used as a fragrance and flavor and to make fungicides、rodenticides、sedatives、narcotics、and other drugs、[HSDB] Used to make esters for solvents、softeners、and perfumes、[CHEMINFO]、FRAGRANCE INGREDIENT IN PERFUMES、FLAVOR INGREDIENT IN PERFUMES、NON-ALC BEVERAGES、FOODS、CHEM INT FOR SEDATIVES、Medicine、perfume.、In sedative manufacture.、Used to make fungicides、and other drugs.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Methods of Manufacturing: CALDWELL、US PATENT 2、484、486 (1949 TO KODAK)、GUSTAK、SAJKO、ARKIV KEMI 24、11 (1952)、CA 49、163E (1955)、L'VOV ET AL、ZH PRIKL KIM 35、700 (1962).、With other valeric acids、by distillation from valerian、by oxidation of isoamyl alcohol.、Oxidation of isovaleradehyde.、U.S. Production: 2023: <50、000 lb、2022: <50、2021: <50、2020: <50、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Butanoic acid、3-methyl-: ACTIVE、"VALERIC" ACID OF COMMERCE IS ISOVALERIC ACID.、OF THE 3 POSSIBLE ISOMERS OF N-VALERIC ACID、ONLY ISOVALERIC ACID FINDS EXTENSIVE APPLICATION IN FLAVORING. ... REPORTED USES、IN、NON-ALCOHOLIC BEVERAGES: 1.2 PPM、ICE CREAMS、ICES: 14 PPM、CANDY: 12 PPM、BAKED GOODS: 5.5 PPM、CHEESE: 2.4 PPM. |
登记用途：Uses: Found in hop oil、tobacco、and other plants、[Merck Index] Used as a fragrance and flavor and to make fungicides、rodenticides、sedatives、narcotics、and other drugs、[HSDB] Used to make esters for solvents、softeners、and perfumes、[CHEMINFO]、FRAGRANCE INGREDIENT IN PERFUMES、FLAVOR INGREDIENT IN PERFUMES、NON-ALC BEVERAGES、FOODS、CHEM INT FOR SEDATIVES、Medicine、perfume.、In sedative manufacture.、Used to make fungicides、and other drugs.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Methods of Manufacturing: CALDWELL、US PATENT 2、484、486 (1949 TO KODAK)、GUSTAK、SAJKO、ARKIV KEMI 24、11 (1952)、CA 49、163E (1955)、L'VOV ET AL、ZH PRIKL KIM 35、700 (1962).、With other valeric acids、by distillation from valerian、by oxidation of isoamyl alcohol.、Oxidation of isovaleradehyde.、U.S. Production: 2023: <50、000 lb、2022: <50、2021: <50、2020: <50、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Butanoic acid、3-methyl-: ACTIVE、"VALERIC" ACID OF COMMERCE IS ISOVALERIC ACID.、OF THE 3 POSSIBLE ISOMERS OF N-VALERIC ACID、ONLY ISOVALERIC ACID FINDS EXTENSIVE APPLICATION IN FLAVORING. ... REPORTED USES、IN、NON-ALCOHOLIC BEVERAGES: 1.2 PPM、ICE CREAMS、ICES: 14 PPM、CANDY: 12 PPM、BAKED GOODS: 5.5 PPM、CHEESE: 2.4 PPM.。
异戊酸 是一种化工化合物，登记 CAS 号为 503-74-2，分子式 C5H10O2（分子量 102.13）。
登记 CAS 号：503-74-2
其分子式 C5H10O2 由 5 个碳、10 个氢、2 个氧 组成。
别名/同义词：异戊酸 · Isovaleric acid
异戊酸 的 CAS 登记号为 503-74-2。
分子式 C5H10O2，分子量 102.13。
别名/同义词：异戊酸、Isovaleric acid。
登记用途：Uses: Found in hop oil、tobacco、and other plants、[Merck Index] Used as a fragrance and flavor and to make fungicides、rodenticides、sedatives、narcotics、and other drugs、[HSDB] Used to make esters for solvents、softeners、and perfumes、[CHEMINFO]、FRAGRANCE INGREDIENT IN PERFUMES、FLAVOR INGREDIENT IN PERFUMES、NON-ALC BEVERAGES、FOODS、CHEM INT FOR SEDATIVES、Medicine、perfume.、In sedative manufacture.、Used to make fungicides、and other drugs.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Methods of Manufacturing: CALDWELL、US PATENT 2、484、486 (1949 TO KODAK)、GUSTAK、SAJKO、ARKIV KEMI 24、11 (1952)、CA 49、163E (1955)、L'VOV ET AL、ZH PRIKL KIM 35、700 (1962).、With other valeric acids、by distillation from valerian、by oxidation of isoamyl alcohol.、Oxidation of isovaleradehyde.、U.S. Production: 2023: <50、000 lb、2022: <50、2021: <50、2020: <50、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Butanoic acid、3-methyl-: ACTIVE、"VALERIC" ACID OF COMMERCE IS ISOVALERIC ACID.、OF THE 3 POSSIBLE ISOMERS OF N-VALERIC ACID、ONLY ISOVALERIC ACID FINDS EXTENSIVE APPLICATION IN FLAVORING. ... REPORTED USES、IN、NON-ALCOHOLIC BEVERAGES: 1.2 PPM、ICE CREAMS、ICES: 14 PPM、CANDY: 12 PPM、BAKED GOODS: 5.5 PPM、CHEESE: 2.4 PPM.。
异戊酸（CAS 503-74-2）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 503-74-2 |
|---|---|
| PubChem CID | 10430 |
| 分子式 | C5H10O2 |
| 分子量 | 102.07 g/mol |
| IUPAC 名称 | 3-methylbutanoic acid |
| InChIKey | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| UNII（FDA） | 1BR7X184L5 |
| ChEBI 编号 | CHEBI:28484 |
| FEMA 编号 | 3102 |
| JECFA 编号 | 259 |
| Molecular Weight | 102.13 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.068079557 |
| Monoisotopic Mass | 102.068079557 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 7 |
| Boiling Point | 176.5 |
|---|---|
| Boiling Point | 176.5 °C @ 760 MM HG |
| Boiling Point | 175.00 to 177.00 °C. @ 760.00 mm Hg |
| Boiling Point | 175 °C |
| Melting Point | -29.3 |
| Melting Point | -29.3 °C |
| Flash Point | 70 °C |
| Solubility | 40700 |
| Solubility | In water, 4.07X10+4 mg/l at 20 °C |
| Solubility | 40.7 mg/mL |
ISOVALERIC ACID; 3-Methylbutanoic acid; 503-74-2; Isopentanoic acid; 3-Methylbutyric acid; Isopropylacetic acid; Delphinic acid; Butanoic acid, 3-methyl-; Isovalerianic acid; Isobutylformic acid; beta-Methylbutyric acid; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Butyric acid, 3-methyl-; Kyselina isovalerova; Isobutyl formic acid
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Cheese, Pungent No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H314 (100%), H318 (84.3%) |
|---|
异戊酸 的 CAS 号为 503-74-2，分子式 C5H10O2，分子量 102.07 g/mol。 UNII 1BR7X184L5; ChEBI 28484; InChIKey GWYFCOCPABKNJV-UHFFFAOYSA-N. Boiling Point: 176.5; Boiling Point: 176.5 °C @ 760 MM HG; Boiling Point: 175.00 to 177.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Isovaleric acid